RubyGems - toxtree - Versions diffs - 0.0.1 - Mend

toxtree 0.0.1

Files changed (1384) hide show

data/Toxtree-v2.6.13/src/verhaar/rules/helper/RuleElementsCounter.java ADDED

@@ -0,0 +1,44 @@
+package verhaar.rules.helper;
+import org.openscience.cdk.interfaces.IAtomContainer;
+import toxTree.exceptions.DecisionMethodException;
+import toxTree.tree.rules.DefaultAlertCounter;
+import toxTree.tree.rules.IAlertCounter;
+import toxTree.tree.rules.RuleElements;
+public class RuleElementsCounter extends RuleElements implements IAlertCounter {
+	/**
+	 *
+	 */
+	private static final long serialVersionUID = 673556779228542499L;
+	protected IAlertCounter alertsCounter;
+	public RuleElementsCounter() {
+		super();
+		alertsCounter = new DefaultAlertCounter();
+	}
+	@Override
+	public String getImplementationDetails() {
+		StringBuffer b = new StringBuffer();
+		b.append(alertsCounter.getImplementationDetails());
+		return b.toString();
+	}
+	@Override
+	public boolean verifyRule(IAtomContainer mol) throws DecisionMethodException {
+		if (super.verifyRule(mol)) {
+			incrementCounter(mol);
+			return true;
+		} else return false;
+	}
+	@Override
+	public void incrementCounter(IAtomContainer mol) {
+		alertsCounter.incrementCounter(mol);
+	}
+}

data/Toxtree-v2.6.13/src/verhaar/rules/helper/RuleOnlyAllowedSubstructuresCounter.java ADDED

@@ -0,0 +1,44 @@
+package verhaar.rules.helper;
+import org.openscience.cdk.interfaces.IAtomContainer;
+import toxTree.exceptions.DecisionMethodException;
+import toxTree.tree.rules.DefaultAlertCounter;
+import toxTree.tree.rules.IAlertCounter;
+import toxTree.tree.rules.RuleOnlyAllowedSubstructures;
+public class RuleOnlyAllowedSubstructuresCounter extends RuleOnlyAllowedSubstructures  implements IAlertCounter{
+	/**
+	 *
+	 */
+	private static final long serialVersionUID = -3700379077322343876L;
+	protected IAlertCounter alertsCounter;
+	public RuleOnlyAllowedSubstructuresCounter() {
+		super();
+		alertsCounter = new DefaultAlertCounter();
+	}
+	@Override
+	public String getImplementationDetails() {
+		StringBuffer b = new StringBuffer();
+		b.append(alertsCounter.getImplementationDetails());
+		return b.toString();
+	}
+	@Override
+	public boolean verifyRule(IAtomContainer mol) throws DecisionMethodException {
+		if (super.verifyRule(mol)) {
+			incrementCounter(mol);
+			return true;
+		} else return false;
+	}
+	@Override
+	public void incrementCounter(IAtomContainer mol) {
+		alertsCounter.incrementCounter(mol);
+	}
+}

data/Toxtree-v2.6.13/src/verhaar/rules/package.html ADDED

@@ -0,0 +1,15 @@
+<HTML><HEAD><TITLE>Toxtree plugin</TITLE>
+<META http-equiv=Content-Type content="text/html; charset=iso-8859-1">
+</SCRIPT>
+<META NAME="Description" CONTENT="toxTree application">
+<META NAME="Keywords" CONTENT="source,decision tree,TTC,java">
+<!--  -->
+<body bgColor="#FFFFFF" link="#428EFF">
+The package contains implementations of {@link toxTree.core.IDecisionRule}
+ rules for {@link verhaar.VerhaarScheme} decision tree.
+</body></HTML>

data/ext/toxtree/extconf.rb ADDED

@@ -0,0 +1,21 @@
+require 'mkmf'
+main_dir = File.expand_path(File.join(File.dirname(__FILE__),"..",".."))
+# check for required programs
+programs = ["wget","unzip","java"]
+programs.each do |program|
+  abort "Please install #{program} on your system." unless find_executable program
+end
+# get Toxtree
+puts `cd #{main_dir} && wget https://sourceforge.net/projects/toxtree/files/toxtree/Toxtree-v.2.6.13/Toxtree-v2.6.13.zip`
+# unzip
+puts `cd #{main_dir} && unzip Toxtree-v2.6.13.zip`
+# create a fake Makefile
+File.open(File.join(File.dirname(__FILE__),"Makefile"),"w+") do |makefile|
+  makefile.puts "all:\n\ttrue\n\ninstall:\n\ttrue\n"
+end
+$makefile_created = true

data/lib/toxtree.rb ADDED

@@ -0,0 +1,91 @@
+require 'csv'
+require 'tempfile'
+class Toxtree
+  RULES = {
+    "Cramer rules" => {
+      :java_class => "toxTree.tree.cramer.CramerRules",
+      :url => "http://toxtree.sourceforge.net/cramer.html"
+    },
+    "Cramer rules with extensions" => {
+      :java_class => "cramer2.CramerRulesWithExtensions",
+      :url => ""
+    },
+    "Verhaar scheme" => {
+      :java_class => "verhaar.VerhaarScheme",
+    },
+    "Modified Verhaar scheme" => {
+      :java_class => "toxtree.plugins.verhaar2.VerhaarScheme2",
+    },
+    "Skin irritation" => {
+      :java_class => "sicret.SicretRules",
+    },
+    "Eye irritation" => {
+      :java_class => "eye.EyeIrritationRules",
+    },
+    "START biodegradation and persistence" => {
+      :java_class => "com.molecularnetworks.start.BiodgeradationRules",
+    },
+    "Benigni / Bossa rulebase for mutagenicity and carcinogenicity" => {
+      :java_class => "mutant.BB_CarcMutRules",
+    },
+    "In vitro mutagenicity (Ames test) alerts by ISS" => {
+      :java_class => "toxtree.plugins.ames.AmesMutagenicityRules",
+    },
+    "Structure Alerts for the in vivo micronucleus assay in rodents (ISSMIC)" => {
+      :java_class => "mic.MICRules",
+    },
+    "Structural Alerts for Functional Group Identification (ISSFUNC)" => {
+      :java_class => "toxtree.plugins.func.FuncRules",
+    },
+    "Structure Alerts for identification of Michael Acceptors" => {
+      :java_class => "michaelacceptors.MichaelAcceptorRules",
+    },
+    "Structure Alerts for skin sensitisation reactivity domains" => {
+      :java_class => "toxtree.plugins.skinsensitisation.SkinSensitisationPlugin",
+    },
+    "DNA binding alerts" => {
+      :java_class => "toxtree.plugins.dnabinding.DNABindingPlugin",
+    },
+    "Protein binding alerts" => {
+      :java_class => "toxtree.plugins.proteinbinding.ProteinBindingPlugin",
+    },
+    "Kroes TTC Decision tree" => {
+      :java_class => "toxtree.plugins.kroes.Kroes1Tree",
+    },
+    "SMARTCyp - Cytochrome P450-Mediated Drug Metabolism and metabolites prediction" => {
+      :java_class => "toxtree.plugins.smartcyp.SMARTCYPPlugin",
+    },
+  }
+  def self.predict smiles, rules="Cramer rules"
+    smiles = [smiles] unless smiles.is_a? Array
+    rules = [rules] unless rules.is_a? Array
+    predictions = []
+    input = Tempfile.new(["input",".csv"])
+    output = input.path.sub("input","result")
+    begin
+      input.write "SMILES\n"
+      input.write smiles.join("\n")
+      input.close
+      rules.each do |name|
+        `cd #{File.join(File.dirname(__FILE__),"..","Toxtree-v2.6.13","Toxtree")}; java -jar Toxtree-2.6.13.jar -i #{input.path} -m #{RULES[name][:java_class]} -n -o #{output}`
+        prediction = CSV.read(output)
+        header = prediction.shift
+        header.pop # remove last empty element
+        prediction.each do |line|
+          p = {"rule" => name}
+          header.each_with_index do |h,i|
+            p[h] = line[i]
+          end
+          predictions << p
+        end
+      end
+    ensure
+      input.unlink
+    end
+    predictions.size == 1 ? predictions[0] : predictions
+  end
+end

data/test/toxtree.rb ADDED

@@ -0,0 +1,26 @@
+require 'minitest/autorun'
+require_relative '../lib/toxtree.rb'
+class ToxtreeTest < MiniTest::Test
+  def test_cramer
+    assert_equal Toxtree.predict("c1ccccc1NN"), {"rule"=>"Cramer rules", "SMILES"=>"c1ccccc1NN", "CRAMERFLAGS"=>nil, "Cramer rules"=>"High (Class III)", "toxTree.tree.cramer.CramerTreeResult"=>"1N,2N,3N,5N,6N,7N,16N,17N,19N,23Y,27Y,28N,30Y,31N,32N,22N,33N"}
+  end
+  def test_all_rules
+    smiles = ["c1ccccc1NN","c1ccccc1N","CCC(CC)CC#N"]
+    Toxtree::RULES.each do |name,rule|
+      Toxtree.predict(smiles,name).each do |prediction|
+        refute_nil prediction
+        assert_equal name, prediction["rule"]
+        assert smiles.include?(prediction["SMILES"])
+      end
+    end
+  end
+  def test_urls
+    skip
+  end
+end

metadata ADDED

@@ -0,0 +1,1427 @@
+--- !ruby/object:Gem::Specification
+name: toxtree
+version: !ruby/object:Gem::Version
+  version: 0.0.1
+platform: ruby
+authors:
+- Christoph Helma
+autorequire:
+bindir: bin
+cert_chain: []
+date: 2017-08-23 00:00:00.000000000 Z
+dependencies: []
+description: http://toxtree.sourceforge.net
+email:
+- helma@in-silico.ch
+executables: []
+extensions: []
+extra_rdoc_files: []
+files:
+- Toxtree-v2.6.13/LICENSE.txt
+- Toxtree-v2.6.13/README.txt
+- Toxtree-v2.6.13/Toxtree/Toxtree-2.6.13.jar
+- Toxtree-v2.6.13/Toxtree/example.java
+- Toxtree-v2.6.13/Toxtree/ext/toxtree-ames-2.6.13.jar
+- Toxtree-v2.6.13/Toxtree/ext/toxtree-biodegradation-2.6.13.jar
+- Toxtree-v2.6.13/Toxtree/ext/toxtree-cramer-2.6.13-tests.jar
+- Toxtree-v2.6.13/Toxtree/ext/toxtree-cramer-2.6.13.jar
+- Toxtree-v2.6.13/Toxtree/ext/toxtree-cramer2-2.6.13.jar
+- Toxtree-v2.6.13/Toxtree/ext/toxtree-dnabinding-2.6.13.jar
+- Toxtree-v2.6.13/Toxtree/ext/toxtree-eye-2.6.13.jar
+- Toxtree-v2.6.13/Toxtree/ext/toxtree-functional_groups-2.6.13.jar
+- Toxtree-v2.6.13/Toxtree/ext/toxtree-kroes-2.6.13.jar
+- Toxtree-v2.6.13/Toxtree/ext/toxtree-mic-2.6.13.jar
+- Toxtree-v2.6.13/Toxtree/ext/toxtree-michaelacceptors-2.6.13.jar
+- Toxtree-v2.6.13/Toxtree/ext/toxtree-mutant-2.6.13.jar
+- Toxtree-v2.6.13/Toxtree/ext/toxtree-proteinbinding-2.6.13.jar
+- Toxtree-v2.6.13/Toxtree/ext/toxtree-sicret-2.6.13.jar
+- Toxtree-v2.6.13/Toxtree/ext/toxtree-skinsensitisation-2.6.13.jar
+- Toxtree-v2.6.13/Toxtree/ext/toxtree-smartcyp-2.6.13.jar
+- Toxtree-v2.6.13/Toxtree/ext/toxtree-verhaar-2.6.13.jar
+- Toxtree-v2.6.13/Toxtree/ext/toxtree-verhaar2-2.6.13.jar
+- Toxtree-v2.6.13/Toxtree/input.txt
+- Toxtree-v2.6.13/Toxtree/result.txt
+- Toxtree-v2.6.13/Toxtree/toxtree-plugins.properties
+- Toxtree-v2.6.13/doc/Toxtree_BenigniBossaRulebase_manual.pdf
+- Toxtree-v2.6.13/doc/Toxtree_CramerExtensions_manual.pdf
+- Toxtree-v2.6.13/doc/Toxtree_START_manual.pdf
+- Toxtree-v2.6.13/doc/Toxtree_ToxMic_manual.pdf
+- Toxtree-v2.6.13/doc/Toxtree_installation_manual.pdf
+- Toxtree-v2.6.13/doc/Toxtree_user_manual.pdf
+- Toxtree-v2.6.13/doc/src/toxtree-2.6.13-javadoc.jar
+- Toxtree-v2.6.13/lib/javacpl.exe
+- Toxtree-v2.6.13/src/META-INF/MANIFEST.MF
+- Toxtree-v2.6.13/src/bodymol.inchi
+- Toxtree-v2.6.13/src/bodymol.sdf
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/BiodgeradationRules.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/BiodgeradationRules.properties
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/categories/CategoryBiodegradable.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/categories/CategoryPersistent.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/categories/CategoryUnknown.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/positive_examples.sml
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAlcohols.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAldehyde.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAliphaticCyclicNoBranches.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAliphaticEther.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAliphaticFusedRingsNonBranched.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAlyphaticSulphonicAcids.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAminoAcids.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAromaticHalogen.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAromaticNGroups.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAromaticSulphonicAcid.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAzoGroup.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleCyanoGroupOnMoreThanEightAtomsChain.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleEpoxide.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleEsters.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleFormaldehyde.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleHalogenSubstitutedBranched.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleKetone.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleMoreThanTwoHydroxyOnAromaticRing.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleNNitroso.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleNitrile.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleOneHalogenOnUnbranched.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RulePhosphateEsters.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RulePyridineRing.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleTerminalIsopropylNonCyclic.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleTerminalTertButyl.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleTertiaryAmine.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleTriazineRing.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleTrifluoromethyl.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleTwoHalogensOnUnbranchedNonCyclic.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleTwoOrMoreRings.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleTwoTerminalDiaminoGroupsOnNonCyclic.java
+- Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleTwoTerminalDoubleBondsOnUnbranched.java
+- Toxtree-v2.6.13/src/cramer2/CramerRulesWithExtensions.java
+- Toxtree-v2.6.13/src/cramer2/CramerRulesWithExtensions.properties
+- Toxtree-v2.6.13/src/cramer2/MANIFEST.plugin
+- Toxtree-v2.6.13/src/cramer2/categories/CramerClass1.java
+- Toxtree-v2.6.13/src/cramer2/categories/CramerClass2.java
+- Toxtree-v2.6.13/src/cramer2/categories/CramerClass3.java
+- Toxtree-v2.6.13/src/cramer2/categories/CramerTreeResult.java
+- Toxtree-v2.6.13/src/cramer2/package.html
+- Toxtree-v2.6.13/src/cramer2/rules/RuleBenzeneAnalogues.java
+- Toxtree-v2.6.13/src/cramer2/rules/RuleDivalentSulphur.java
+- Toxtree-v2.6.13/src/cramer2/rules/RuleFreeABUnsaturatedHetero.java
+- Toxtree-v2.6.13/src/cramer2/rules/RuleHasOnlySaltSulphonateSulphate.java
+- Toxtree-v2.6.13/src/cramer2/rules/RuleNormalBodyConstituent.java
+- Toxtree-v2.6.13/src/cramer2/rules/RuleReadilyHydrolysedPO4.java
+- Toxtree-v2.6.13/src/cramer2/rules/RuleUnchargedOrganophosphates.java
+- Toxtree-v2.6.13/src/cramer2/rules/RuleUnchargedOrganophosphates_wrong.txt
+- Toxtree-v2.6.13/src/eye/EyeIrritationRules.java
+- Toxtree-v2.6.13/src/eye/EyeIrritationRules.properties
+- Toxtree-v2.6.13/src/eye/MANIFEST.plugin
+- Toxtree-v2.6.13/src/eye/categories/CategoryCorrosiveEye.java
+- Toxtree-v2.6.13/src/eye/categories/CategoryCorrosiveSkin.java
+- Toxtree-v2.6.13/src/eye/categories/CategoryModerateIrritation2Eye.java
+- Toxtree-v2.6.13/src/eye/categories/CategoryNotCorrosive2Eye.java
+- Toxtree-v2.6.13/src/eye/categories/CategoryNotCorrosive2Skin.java
+- Toxtree-v2.6.13/src/eye/categories/CategoryNotCorrosive2SkinAndIrritating2Eye.java
+- Toxtree-v2.6.13/src/eye/categories/CategoryNotCorrosive2SkinEye.java
+- Toxtree-v2.6.13/src/eye/categories/CategoryNotCorrosive2SkinOrIrritating2Eye.java
+- Toxtree-v2.6.13/src/eye/categories/CategoryNotIrritating2Eye.java
+- Toxtree-v2.6.13/src/eye/categories/CategoryNotIrritatingOrCorrosive2Eye.java
+- Toxtree-v2.6.13/src/eye/categories/CategoryUnknown.java
+- Toxtree-v2.6.13/src/eye/categories/package.html
+- Toxtree-v2.6.13/src/eye/package.html
+- Toxtree-v2.6.13/src/eye/rules/Rule1.java
+- Toxtree-v2.6.13/src/eye/rules/Rule13_AliphaticMonoalcohols.java
+- Toxtree-v2.6.13/src/eye/rules/Rule14Aliphatic_glycerol_monoethers.java
+- Toxtree-v2.6.13/src/eye/rules/Rule15.java
+- Toxtree-v2.6.13/src/eye/rules/Rule16.java
+- Toxtree-v2.6.13/src/eye/rules/Rule17.java
+- Toxtree-v2.6.13/src/eye/rules/Rule18.java
+- Toxtree-v2.6.13/src/eye/rules/Rule19.java
+- Toxtree-v2.6.13/src/eye/rules/Rule20.java
+- Toxtree-v2.6.13/src/eye/rules/Rule21.java
+- Toxtree-v2.6.13/src/eye/rules/Rule22.java
+- Toxtree-v2.6.13/src/eye/rules/Rule23.java
+- Toxtree-v2.6.13/src/eye/rules/Rule24.java
+- Toxtree-v2.6.13/src/eye/rules/Rule25.java
+- Toxtree-v2.6.13/src/eye/rules/Rule26.java
+- Toxtree-v2.6.13/src/eye/rules/Rule27.java
+- Toxtree-v2.6.13/src/eye/rules/Rule28.java
+- Toxtree-v2.6.13/src/eye/rules/Rule29.java
+- Toxtree-v2.6.13/src/eye/rules/Rule30.java
+- Toxtree-v2.6.13/src/eye/rules/Rule31.java
+- Toxtree-v2.6.13/src/eye/rules/Rule32.java
+- Toxtree-v2.6.13/src/eye/rules/Rule33.java
+- Toxtree-v2.6.13/src/eye/rules/Rule34.java
+- Toxtree-v2.6.13/src/eye/rules/Rule35.java
+- Toxtree-v2.6.13/src/eye/rules/Rule36.java
+- Toxtree-v2.6.13/src/eye/rules/Rule37.java
+- Toxtree-v2.6.13/src/eye/rules/Rule38.java
+- Toxtree-v2.6.13/src/eye/rules/Rule39.java
+- Toxtree-v2.6.13/src/eye/rules/RuleAqueousSolubility.java
+- Toxtree-v2.6.13/src/eye/rules/RuleAqueousSolubility1.java
+- Toxtree-v2.6.13/src/eye/rules/RuleAqueousSolubility_10_2.java
+- Toxtree-v2.6.13/src/eye/rules/RuleAqueousSolubility_10_5.java
+- Toxtree-v2.6.13/src/eye/rules/RuleAqueousSolubility_11_7.java
+- Toxtree-v2.6.13/src/eye/rules/RuleAqueousSolubility_8_3.java
+- Toxtree-v2.6.13/src/eye/rules/RuleAqueousSolubility_8_4.java
+- Toxtree-v2.6.13/src/eye/rules/RuleAqueousSolubility_9_3.java
+- Toxtree-v2.6.13/src/eye/rules/RuleHasOnlyC_H_O.java
+- Toxtree-v2.6.13/src/eye/rules/RuleHasOnlyC_H_O_Halogen.java
+- Toxtree-v2.6.13/src/eye/rules/RuleHasOnlyC_H_O_N.java
+- Toxtree-v2.6.13/src/eye/rules/RuleHasOnlyC_H_O_N_Halogen.java
+- Toxtree-v2.6.13/src/eye/rules/RuleHasOnlyC_H_O_N_S.java
+- Toxtree-v2.6.13/src/eye/rules/RuleLipidSolubility.java
+- Toxtree-v2.6.13/src/eye/rules/RuleLipidSolubility_10_4.java
+- Toxtree-v2.6.13/src/eye/rules/RuleLipidSolubility_9_1.java
+- Toxtree-v2.6.13/src/eye/rules/RuleLogP.java
+- Toxtree-v2.6.13/src/eye/rules/RuleLogP1.java
+- Toxtree-v2.6.13/src/eye/rules/RuleLogP_10_1.java
+- Toxtree-v2.6.13/src/eye/rules/RuleLogP_11_4.java
+- Toxtree-v2.6.13/src/eye/rules/RuleLogP_11_5.java
+- Toxtree-v2.6.13/src/eye/rules/RuleLogP_11_6.java
+- Toxtree-v2.6.13/src/eye/rules/RuleLogP_12_4.java
+- Toxtree-v2.6.13/src/eye/rules/RuleLogP_9_4.java
+- Toxtree-v2.6.13/src/eye/rules/RuleMeltingPoint_11_2.java
+- Toxtree-v2.6.13/src/eye/rules/RuleMeltingPoint_12_3.java
+- Toxtree-v2.6.13/src/eye/rules/RuleMeltingPoint_8_1.java
+- Toxtree-v2.6.13/src/eye/rules/RuleMelting_Point_11_3.java
+- Toxtree-v2.6.13/src/eye/rules/RuleMolWeight.java
+- Toxtree-v2.6.13/src/eye/rules/RuleMolWeight_10_3.java
+- Toxtree-v2.6.13/src/eye/rules/RuleMolWeight_11_1.java
+- Toxtree-v2.6.13/src/eye/rules/RuleMolWeight_12_2.java
+- Toxtree-v2.6.13/src/eye/rules/RuleMolWeight_8_2.java
+- Toxtree-v2.6.13/src/eye/rules/RuleMolWeight_9_2.java
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+- Toxtree-v2.6.13/src/kroes/KroesFig1Q1.sdf
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+- Toxtree-v2.6.13/src/mic/MICRules.properties
+- Toxtree-v2.6.13/src/mic/categories/micronucleusClass1.java
+- Toxtree-v2.6.13/src/mic/categories/micronucleusClass2.java
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+- Toxtree-v2.6.13/src/michaelacceptors/MichaelAcceptorRules.properties
+- Toxtree-v2.6.13/src/michaelacceptors/categories/CategoryMichaelAcceptor.java
+- Toxtree-v2.6.13/src/michaelacceptors/categories/CategoryUnknown.java
+- Toxtree-v2.6.13/src/michaelacceptors/rules/Rule1.java
+- Toxtree-v2.6.13/src/michaelacceptors/rules/Rule10A.java
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+- Toxtree-v2.6.13/src/mutant/categories/CategoryMutagenTA100.java
+- Toxtree-v2.6.13/src/mutant/categories/CategoryNoGenotoxicAlert.java
+- Toxtree-v2.6.13/src/mutant/categories/CategoryNoNongenotoxicAlert.java
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+- Toxtree-v2.6.13/src/mutant/categories/CategoryNotCarcinogen.java
+- Toxtree-v2.6.13/src/mutant/categories/CategoryPositiveAlertGenotoxic.java
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+- Toxtree-v2.6.13/src/mutant/descriptors/DescriptorIsAniline.java
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+- Toxtree-v2.6.13/src/mutant/rules/RuleDAMutagenicityABUnsaturatedAldehydes.java
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+- Toxtree-v2.6.13/src/mutant/rules/SA29_gen.java
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+- Toxtree-v2.6.13/src/mutant/rules/SA30_gen.java
+- Toxtree-v2.6.13/src/mutant/rules/SA31a_nogen.java
+- Toxtree-v2.6.13/src/mutant/rules/SA31b_nogen.java
+- Toxtree-v2.6.13/src/mutant/rules/SA31c_nogen.java
+- Toxtree-v2.6.13/src/mutant/rules/SA37_gen.java
+- Toxtree-v2.6.13/src/mutant/rules/SA38_gen.java
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+- Toxtree-v2.6.13/src/mutant/rules/SA41_nogen.java
+- Toxtree-v2.6.13/src/mutant/rules/SA42_nogen.java
+- Toxtree-v2.6.13/src/mutant/rules/SA43_nogen.java
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+- Toxtree-v2.6.13/src/mutant/rules/SA49_nogen.java
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+- Toxtree-v2.6.13/src/mutant/rules/SA51_nogen.java
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+- Toxtree-v2.6.13/src/mutant/rules/UserInputABUnsaturatedAldehyde.java
+- Toxtree-v2.6.13/src/mutant/rules/UserInputAromaticAmine.java
+- Toxtree-v2.6.13/src/mutant/rules/VerifyAlertsGenotoxic.java
+- Toxtree-v2.6.13/src/mutant/rules/VerifyAlertsNongenotoxic.java
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+- Toxtree-v2.6.13/src/sicret/SicretRules.properties
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+- Toxtree-v2.6.13/src/sicret/categories/CategoryIrritating.java
+- Toxtree-v2.6.13/src/sicret/categories/CategoryIrritatingOrCorrosive.java
+- Toxtree-v2.6.13/src/sicret/categories/CategoryNotCorrosive.java
+- Toxtree-v2.6.13/src/sicret/categories/CategoryNotIrritating.java
+- Toxtree-v2.6.13/src/sicret/categories/CategoryNotIrritatingOrCorrosive.java
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+- Toxtree-v2.6.13/src/sicret/package.html
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+- Toxtree-v2.6.13/src/sicret/rules/RuleAcidAnhydrides.java
+- Toxtree-v2.6.13/src/sicret/rules/RuleAcidImides.java
+- Toxtree-v2.6.13/src/sicret/rules/RuleAcrylicAcids.java
+- Toxtree-v2.6.13/src/sicret/rules/RuleAcrylicAndMethacrylicEsters.java
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+- Toxtree-v2.6.13/src/sicret/rules/RuleAliphaticSaturatedAcidsAndHalogenatedAcids.java
+- Toxtree-v2.6.13/src/sicret/rules/RuleAlkylAlkanolAmines.java
+- Toxtree-v2.6.13/src/sicret/rules/RuleAlphaAlkynes.java
+- Toxtree-v2.6.13/src/sicret/rules/RuleAlphaHalogenatedAmidesAndThioamides.java
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+- Toxtree-v2.6.13/src/sicret/rules/RuleAromaticAmines.java
+- Toxtree-v2.6.13/src/sicret/rules/RuleBenzylHalides.java
+- Toxtree-v2.6.13/src/sicret/rules/RuleBetaLactones.java
+- Toxtree-v2.6.13/src/sicret/rules/RuleC10_C20AliphaticAlcohols.java
+- Toxtree-v2.6.13/src/sicret/rules/RuleCarbamoylHalide.java
+- Toxtree-v2.6.13/src/sicret/rules/RuleCatecholsResorcinolsHydroquinones.java
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+- Toxtree-v2.6.13/src/sicret/rules/RuleKetones.java
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+- Toxtree-v2.6.13/src/sicret/rules/RuleMeltingPoint.java
+- Toxtree-v2.6.13/src/sicret/rules/RuleMolWeight.java
+- Toxtree-v2.6.13/src/sicret/rules/RuleOandPQuinones.java
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+- Toxtree-v2.6.13/src/sicret/rules/RuleQuaternaryOrganicAmmoniumAndPhosphoniumSalts.java
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+- Toxtree-v2.6.13/src/structurefeatures/rules/RuleAldehyde.java
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+- Toxtree-v2.6.13/src/structurefeatures/rules/RuleAlkylPhosphonate.java
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+- Toxtree-v2.6.13/src/structurefeatures/rules/RuleAromaticNitro.java
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+- Toxtree-v2.6.13/src/structurefeatures/rules/RuleNitrogenMustard.java
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+- Toxtree-v2.6.13/src/structurefeatures/rules/RuleNucleosides.java
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+- Toxtree-v2.6.13/src/structurefeatures/rules/RulePropiolactone.java
+- Toxtree-v2.6.13/src/structurefeatures/rules/RuleUrethaneDerivatives.java
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+- Toxtree-v2.6.13/src/toxTree/apps/ToxtreeOptions.java
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+- Toxtree-v2.6.13/src/toxTree/apps/toxForest/ToxForestApp.java
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+- Toxtree-v2.6.13/src/toxTree/tree/AbstractRuleHilightHits.java
+- Toxtree-v2.6.13/src/toxTree/tree/AbstractTree.java
+- Toxtree-v2.6.13/src/toxTree/tree/AbstractTreePrinter.java
+- Toxtree-v2.6.13/src/toxTree/tree/AbstractTreeWriter.java
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+- Toxtree-v2.6.13/src/toxtree-2.6.13-sources.jar
+- Toxtree-v2.6.13/src/toxtree/data/ActionList.java
+- Toxtree-v2.6.13/src/toxtree/data/DataContainer.java
+- Toxtree-v2.6.13/src/toxtree/data/DataModule.java
+- Toxtree-v2.6.13/src/toxtree/data/DecisionMethodData.java
+- Toxtree-v2.6.13/src/toxtree/data/DecisionMethodsDataModule.java
+- Toxtree-v2.6.13/src/toxtree/data/FilteredMoleculesIterator.java
+- Toxtree-v2.6.13/src/toxtree/data/ToxTreeActions.java
+- Toxtree-v2.6.13/src/toxtree/data/ToxTreeModule.java
+- Toxtree-v2.6.13/src/toxtree/lookup/RemoteLookup.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/AmesMutagenicityRules.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/AmesMutagenicityRules.properties
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/categories/AmesMutagenicityCategory.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/categories/CategoryError.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/categories/CategoryMutagenTA100.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/categories/CategoryNoAlertAmes.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/categories/CategoryNonMutagen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/categories/CategoryPositiveAlertAmes.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/categories/QSARApplicable.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/descriptors/AromaticAmineSubstituentsDescriptor.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/descriptors/DescriptorBridgedBiphenyl.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/descriptors/DescriptorHasNO2Group.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/descriptors/DescriptorIDist.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/descriptors/DescriptorIsAniline.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/descriptors/DescriptorMolarRefractivity.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/descriptors/DescriptorStructurePresence.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/descriptors/SubstituentExtractor.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/descriptors/SubstituentPosition.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/descriptors/SubstituentsDescriptor.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/descriptors/whim_weights.txt
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/AmesMutagenicityTreeResult.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/QSAR6Applicable.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/RuleABUnsaturatedAldehyde.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/RuleAlertsAmes.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/RuleAlertsForAmesMutagenicity.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/RuleAlertsForGenotoxicCarcinogenicity.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/RuleAlertsForNewAmesMutagenicity.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/RuleAromaticAmineNoSulfonicGroup.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/RuleAromaticDiazo.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/RuleDAMutagenicityABUnsaturatedAldehydes.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/RuleDAMutagenicityAromaticAmines.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/RuleDerivedAromaticAmines.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA10_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA11_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA12_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA13_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA14_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA15_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA16_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA18_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA19_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA1_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA21_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA22_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA23_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA24_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA25_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA26_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA27_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA28_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA28bis_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA28ter_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA29_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA2_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA30_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA37_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA38_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA39_gen_and_nogen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA3_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA4_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA57_Ames.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA58_Ames.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA59_Ames.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA5_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA60_Ames.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA61_Ames.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA62_Ames.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA63_Ames.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA64_Ames.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA65_Ames.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA66_Ames.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA67_Ames.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA68_Ames.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA69_Ames.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA6_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA7_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA8_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SA9_gen.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SMARTSGroup.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/SMARTSgroups.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/UserInputABUnsaturatedAldehyde.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/UserInputAromaticAmine.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/VerifyAlertsAmes.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/VerifyAlertsGenotoxic.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/VerifyAlertsNewAmes.java
+- Toxtree-v2.6.13/src/toxtree/plugins/ames/rules/VerifyAlertsNongenotoxic.java
+- Toxtree-v2.6.13/src/toxtree/plugins/dnabinding/DNABindingPlugin.java
+- Toxtree-v2.6.13/src/toxtree/plugins/dnabinding/DNABindingPlugin.properties
+- Toxtree-v2.6.13/src/toxtree/plugins/dnabinding/categories/AcylTransferAlerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/dnabinding/categories/DNABindingAlerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/dnabinding/categories/DNABindingCategory.java
+- Toxtree-v2.6.13/src/toxtree/plugins/dnabinding/categories/MichaelAcceptors.java
+- Toxtree-v2.6.13/src/toxtree/plugins/dnabinding/categories/NoAlerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/dnabinding/categories/SN1Alerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/dnabinding/categories/SN2Alerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/dnabinding/categories/ShiffBaseAlerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/dnabinding/rules/AcylTransferRule.java
+- Toxtree-v2.6.13/src/toxtree/plugins/dnabinding/rules/DNABindingRule.java
+- Toxtree-v2.6.13/src/toxtree/plugins/dnabinding/rules/DNABindingTreeResult.java
+- Toxtree-v2.6.13/src/toxtree/plugins/dnabinding/rules/MichaelAcceptorRule.java
+- Toxtree-v2.6.13/src/toxtree/plugins/dnabinding/rules/RuleDNABindingAlerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/dnabinding/rules/SN1Rule.java
+- Toxtree-v2.6.13/src/toxtree/plugins/dnabinding/rules/SN2Rule.java
+- Toxtree-v2.6.13/src/toxtree/plugins/dnabinding/rules/ShiffBaseRule.java
+- Toxtree-v2.6.13/src/toxtree/plugins/dnabinding/rules/VerifyAlertsDNABinding.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/FuncRules.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/FuncRules.properties
+- Toxtree-v2.6.13/src/toxtree/plugins/func/categories/FuncCat1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/categories/FuncCat2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG10.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG11.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG12.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG13.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG14.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG15.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG16.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG17.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG18.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG19.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG20.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG21.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG22.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG23_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG23_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG23_3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG23_4.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG23_5.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG23_6.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG23_7.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG23_8.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG23_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG24_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG24_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG24_3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG24_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG25.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG26.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG27.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG28.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG29.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG30.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG31_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG31_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG31_3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG31_4.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG31_5.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG31_6.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG31_7.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG31_8.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG31_9.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG31_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG32.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG33_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG33_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG33_3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG33_4.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG33_5.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG33_6.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG33_7.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG33_8.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG33_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG34_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG34_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG34_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_10.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_11.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_12.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_13.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_4.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_5.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_6.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_7.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_8.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_9.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG36.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG37_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG37_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG37_3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG37_4.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG37_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG38.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG39.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG3_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG3_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG3_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG4.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG40.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG41_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG41_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG41_3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG41_4.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG41_5.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG41_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG42.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG43.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG44.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG45.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG46_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG46_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG46_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG47.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG48_1.java
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+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG48_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG49.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG4_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG4_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG4_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG5.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG50_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG50_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG50_3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG50_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG51_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG51_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG51_3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG51_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG52_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG52_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG52_3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG52_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG53_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG53_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG53_3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG53_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG54.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG55.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG56.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG57.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG58.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG59.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG6.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG60.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG61.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG62.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG63.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG64.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG65.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG66.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG67.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG68.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG69.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG7.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG70.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG71.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG72.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG73.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG74_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG74_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG74_3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG74_4.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG74_5.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG74_6.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG74_7.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG74_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG75_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG75_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG75_3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG75_4.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG75_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG76.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG77.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG78_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG78_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG78_3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG78_4.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG78_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG79_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG79_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG79_3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG79_4.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG79_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG8.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG80_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG80_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG80_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG81_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG81_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG81_3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG81_4.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG81_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG82_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG82_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG82_3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG82_4.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG82_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG83_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG83_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG83_3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG83_4.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG83_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG84_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG84_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG84_LS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG85.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG86.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG87.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG88.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG89.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG9.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG90.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FuncTreeResult.java
+- Toxtree-v2.6.13/src/toxtree/plugins/func/rules/RuleAlertsForFunc.java
+- Toxtree-v2.6.13/src/toxtree/plugins/kroes/Kroes1Tree.java
+- Toxtree-v2.6.13/src/toxtree/plugins/kroes/Kroes1Tree.properties
+- Toxtree-v2.6.13/src/toxtree/plugins/kroes/categories/NegligibleRisk.java
+- Toxtree-v2.6.13/src/toxtree/plugins/kroes/categories/NotASafetyConcern.java
+- Toxtree-v2.6.13/src/toxtree/plugins/kroes/categories/RequireCompoundSpecificToxicityData.java
+- Toxtree-v2.6.13/src/toxtree/plugins/kroes/rules/KroesRule10.java
+- Toxtree-v2.6.13/src/toxtree/plugins/kroes/rules/KroesRule11.java
+- Toxtree-v2.6.13/src/toxtree/plugins/kroes/rules/KroesRule12.java
+- Toxtree-v2.6.13/src/toxtree/plugins/kroes/rules/KroesRule2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/kroes/rules/KroesRule3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/kroes/rules/KroesRule4.java
+- Toxtree-v2.6.13/src/toxtree/plugins/kroes/rules/KroesRule5.java
+- Toxtree-v2.6.13/src/toxtree/plugins/kroes/rules/KroesRule6.java
+- Toxtree-v2.6.13/src/toxtree/plugins/kroes/rules/KroesRule7.java
+- Toxtree-v2.6.13/src/toxtree/plugins/kroes/rules/KroesRule8.java
+- Toxtree-v2.6.13/src/toxtree/plugins/kroes/rules/KroesRule9.java
+- Toxtree-v2.6.13/src/toxtree/plugins/kroes/rules/MyOrderQueryBond.java
+- Toxtree-v2.6.13/src/toxtree/plugins/kroes/rules/RuleKroesFig1Q1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/kroes/rules/RuleVerifyIntake.java
+- Toxtree-v2.6.13/src/toxtree/plugins/lewis/LewisTree.java
+- Toxtree-v2.6.13/src/toxtree/plugins/lewis/LewisTree.properties
+- Toxtree-v2.6.13/src/toxtree/plugins/lewis/categories/CYP1A2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/lewis/categories/CYP2A.java
+- Toxtree-v2.6.13/src/toxtree/plugins/lewis/categories/CYP2B.java
+- Toxtree-v2.6.13/src/toxtree/plugins/lewis/categories/CYP2C.java
+- Toxtree-v2.6.13/src/toxtree/plugins/lewis/categories/CYP2D.java
+- Toxtree-v2.6.13/src/toxtree/plugins/lewis/categories/CYP2E.java
+- Toxtree-v2.6.13/src/toxtree/plugins/lewis/categories/CYP3A4.java
+- Toxtree-v2.6.13/src/toxtree/plugins/lewis/rules/Rule_areadepthratio.java
+- Toxtree-v2.6.13/src/toxtree/plugins/lewis/rules/Rule_highLogP.java
+- Toxtree-v2.6.13/src/toxtree/plugins/lewis/rules/Rule_highVolume.java
+- Toxtree-v2.6.13/src/toxtree/plugins/lewis/rules/Rule_high_AreaDepthRatio.java
+- Toxtree-v2.6.13/src/toxtree/plugins/lewis/rules/Rule_high_pKa.java
+- Toxtree-v2.6.13/src/toxtree/plugins/lewis/rules/Rule_lowVolume.java
+- Toxtree-v2.6.13/src/toxtree/plugins/lewis/rules/Rule_volume.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/MOARules.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/MOARules.properties
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/categories/CategoryAcetylcholinesteraseInhibitors.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/categories/CategoryCentralNervousSystemSeizureAgents.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/categories/CategoryElectrophileProelectrophileReactivity.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/categories/CategoryNarcosis1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/categories/CategoryNarcosis2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/categories/CategoryNarcosis3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/categories/CategoryOxidativePhosphorylationUncouplers.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/categories/CategoryUnknown.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/rules/RuleAlertsAche.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/rules/RuleAlertsCNS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/rules/RuleAlertsNarcosis1_1_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/rules/RuleAlertsNarcosis1_1_1_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/rules/RuleAlertsNarcosis1_1_2_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/rules/RuleAlertsNarcosis1_1_2_3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/rules/RuleAlertsNarcosis1_1_3_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/rules/RuleAlertsNarcosis1_1_4_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/rules/RuleAlertsNarcosis1_1_4_2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/rules/RuleAlertsNarcosis2_2_1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/rules/RuleAlertsNarcosis3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/rules/RuleAlertsReactive.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/rules/RuleAlertsUncouplers.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/rules/VerifyAlertsAche.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/rules/VerifyAlertsCNS.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/rules/VerifyAlertsNarcosis1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/rules/VerifyAlertsNarcosis2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/rules/VerifyAlertsNarcosis3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/rules/VerifyAlertsReactive.java
+- Toxtree-v2.6.13/src/toxtree/plugins/moa/rules/VerifyAlertsUncouplers.java
+- Toxtree-v2.6.13/src/toxtree/plugins/proteinbinding/ProteinBindingPlugin.java
+- Toxtree-v2.6.13/src/toxtree/plugins/proteinbinding/ProteinBindingPlugin.properties
+- Toxtree-v2.6.13/src/toxtree/plugins/proteinbinding/categories/AcylTransferAlerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/proteinbinding/categories/MichaelAcceptors.java
+- Toxtree-v2.6.13/src/toxtree/plugins/proteinbinding/categories/NoAlerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/proteinbinding/categories/ProteinBindingAlerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/proteinbinding/categories/ProteinBindingCategory.java
+- Toxtree-v2.6.13/src/toxtree/plugins/proteinbinding/categories/SN2Alerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/proteinbinding/categories/SNArAlerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/proteinbinding/categories/ShiffBaseAlerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/proteinbinding/rules/AcylTransferRule.java
+- Toxtree-v2.6.13/src/toxtree/plugins/proteinbinding/rules/MichaelAcceptorRule.java
+- Toxtree-v2.6.13/src/toxtree/plugins/proteinbinding/rules/ProteinBindingRule.java
+- Toxtree-v2.6.13/src/toxtree/plugins/proteinbinding/rules/ProteinBindingTreeResult.java
+- Toxtree-v2.6.13/src/toxtree/plugins/proteinbinding/rules/RuleProteinBindingAlerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/proteinbinding/rules/SN2Rule.java
+- Toxtree-v2.6.13/src/toxtree/plugins/proteinbinding/rules/SNARRule.java
+- Toxtree-v2.6.13/src/toxtree/plugins/proteinbinding/rules/ShiffBaseRule.java
+- Toxtree-v2.6.13/src/toxtree/plugins/proteinbinding/rules/VerifyAlertsProteinBinding.java
+- Toxtree-v2.6.13/src/toxtree/plugins/search/CompoundLookup.java
+- Toxtree-v2.6.13/src/toxtree/plugins/search/CompoundLookup.properties
+- Toxtree-v2.6.13/src/toxtree/plugins/search/categories/Found.java
+- Toxtree-v2.6.13/src/toxtree/plugins/search/categories/NotFound.java
+- Toxtree-v2.6.13/src/toxtree/plugins/search/rules/Find.java
+- Toxtree-v2.6.13/src/toxtree/plugins/skinsensitisation/SkinSensitisationPlugin.java
+- Toxtree-v2.6.13/src/toxtree/plugins/skinsensitisation/SkinSensitisationPlugin.properties
+- Toxtree-v2.6.13/src/toxtree/plugins/skinsensitisation/categories/AcylTransferAlerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/skinsensitisation/categories/MichaelAcceptors.java
+- Toxtree-v2.6.13/src/toxtree/plugins/skinsensitisation/categories/NoAlerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/skinsensitisation/categories/SN2Alerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/skinsensitisation/categories/SNArAlerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/skinsensitisation/categories/ShiffBaseAlerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/skinsensitisation/categories/SkinSensitisationAlerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/skinsensitisation/categories/SkinSensitisationCategory.java
+- Toxtree-v2.6.13/src/toxtree/plugins/skinsensitisation/rules/AcylTransferRule.java
+- Toxtree-v2.6.13/src/toxtree/plugins/skinsensitisation/rules/MichaelAcceptorRule.java
+- Toxtree-v2.6.13/src/toxtree/plugins/skinsensitisation/rules/RuleSkinSensitisationAlerts.java
+- Toxtree-v2.6.13/src/toxtree/plugins/skinsensitisation/rules/SN2Rule.java
+- Toxtree-v2.6.13/src/toxtree/plugins/skinsensitisation/rules/SNARRule.java
+- Toxtree-v2.6.13/src/toxtree/plugins/skinsensitisation/rules/ShiffBaseRule.java
+- Toxtree-v2.6.13/src/toxtree/plugins/skinsensitisation/rules/SkinSensitisationRule.java
+- Toxtree-v2.6.13/src/toxtree/plugins/skinsensitisation/rules/SkinSensitisationTreeResult.java
+- Toxtree-v2.6.13/src/toxtree/plugins/skinsensitisation/rules/VerifyAlertsSkinSensitisation.java
+- Toxtree-v2.6.13/src/toxtree/plugins/smartcyp/SMARTCYPPlugin.java
+- Toxtree-v2.6.13/src/toxtree/plugins/smartcyp/SMARTCYPPlugin.properties
+- Toxtree-v2.6.13/src/toxtree/plugins/smartcyp/SMARTCypTreeResult.java
+- Toxtree-v2.6.13/src/toxtree/plugins/smartcyp/categories/NoSites.java
+- Toxtree-v2.6.13/src/toxtree/plugins/smartcyp/categories/SitesHigherRank.java
+- Toxtree-v2.6.13/src/toxtree/plugins/smartcyp/categories/SitesRank1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/smartcyp/categories/SitesRank2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/smartcyp/categories/SitesRank3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/smartcyp/rules/MetaboliteGenerator.java
+- Toxtree-v2.6.13/src/toxtree/plugins/smartcyp/rules/SMARTCYPRuleHigherRank.java
+- Toxtree-v2.6.13/src/toxtree/plugins/smartcyp/rules/SMARTCYPRuleHigherRank.properties
+- Toxtree-v2.6.13/src/toxtree/plugins/smartcyp/rules/SMARTCYPRuleRank1.java
+- Toxtree-v2.6.13/src/toxtree/plugins/smartcyp/rules/SMARTCYPRuleRank1.properties
+- Toxtree-v2.6.13/src/toxtree/plugins/smartcyp/rules/SMARTCYPRuleRank2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/smartcyp/rules/SMARTCYPRuleRank2.properties
+- Toxtree-v2.6.13/src/toxtree/plugins/smartcyp/rules/SMARTCYPRuleRank3.java
+- Toxtree-v2.6.13/src/toxtree/plugins/smartcyp/rules/SMARTCYPRuleRank3.properties
+- Toxtree-v2.6.13/src/toxtree/plugins/verhaar2/VerhaarScheme2.java
+- Toxtree-v2.6.13/src/toxtree/plugins/verhaar2/VerhaarScheme2.properties
+- Toxtree-v2.6.13/src/toxtree/plugins/verhaar2/categories/package.html
+- Toxtree-v2.6.13/src/toxtree/plugins/verhaar2/package.html
+- Toxtree-v2.6.13/src/toxtree/plugins/verhaar2/rules/Verhaar2TreeResult.java
+- Toxtree-v2.6.13/src/toxtree/plugins/verhaar2/rules/package.html
+- Toxtree-v2.6.13/src/toxtree/tree/rules/ApplyRuleOptions.java
+- Toxtree-v2.6.13/src/toxtree/ui/DataModulePanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/HashtableModel.java
+- Toxtree-v2.6.13/src/toxtree/ui/HazardPanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/OptionsPanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/PropertyEditor.java
+- Toxtree-v2.6.13/src/toxtree/ui/PropertyInput.java
+- Toxtree-v2.6.13/src/toxtree/ui/SpringUtilities.java
+- Toxtree-v2.6.13/src/toxtree/ui/StatusBar.java
+- Toxtree-v2.6.13/src/toxtree/ui/actions/AboutAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/actions/BatchAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/actions/ClearResultAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/actions/DataContainerAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/actions/DataModuleAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/actions/EditCompoundAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/actions/EstimateAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/actions/EstimateAllAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/actions/ExplainAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/actions/HelpAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/actions/InfoAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/actions/NewMoleculeAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/actions/OpenFileAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/actions/QuitAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/actions/SaveFileAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/actions/package.html
+- Toxtree-v2.6.13/src/toxtree/ui/batch/AbstractJobProcessingDialog.java
+- Toxtree-v2.6.13/src/toxtree/ui/batch/BatchProcessingDialog.java
+- Toxtree-v2.6.13/src/toxtree/ui/batch/package.html
+- Toxtree-v2.6.13/src/toxtree/ui/editors/SwingEditorFactory.java
+- Toxtree-v2.6.13/src/toxtree/ui/metabolites/MetabolitesFrame.java
+- Toxtree-v2.6.13/src/toxtree/ui/metabolites/MetabolitesPanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/molecule/AbstractMoleculeAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/molecule/AtomContainerPropertyTableModel.java
+- Toxtree-v2.6.13/src/toxtree/ui/molecule/ClearFilteredSubsetsAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/molecule/GoToRecordAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/molecule/LookupCompoundAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/molecule/MoleculeEditAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/molecule/NavigationPanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/molecule/PropertyPanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/molecule/ShowFilteredFileAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/molecule/SmilesEntryPanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/molecule/SmilesEntryPanel.properties
+- Toxtree-v2.6.13/src/toxtree/ui/molecule/StructureEntryPanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/molecule/TopPanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/molecule/package.html
+- Toxtree-v2.6.13/src/toxtree/ui/package.html
+- Toxtree-v2.6.13/src/toxtree/ui/tree/DecisionMethodsTableModel.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/DecisionNodePanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/DecisionTreeModel.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/EditTreeActions.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/ITreeView.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/JCustomTreeComponent.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/ListPanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/ListTableModel.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/QueryAtomContainersModel.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/SelectListDialog.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/ToxTreeEditorPanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/ToxTreePackageEntryModel.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/TreeDrawing.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/TreeEditorPanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/TreeFrame.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/TreeLayout.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/TreeOptions.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/TreePanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/TreePrefuse.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/AbstractRuleAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/AbstractTreeAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/AddCategoryAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/ClearMethodsList.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/EditCategoryAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/EditDecisionMethodAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/EditRuleAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/EditTreeExplanation.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/ICategoryAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/INodeAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/IRuleAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/ITreeAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/LiadMethodsListAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/LoadAndEditTreeAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/LoadTreeAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/NewRuleAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/NewTreeAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/SaveMethodsListAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/SaveTreeAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/SelectAndEditTreeAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/SelectCategoryFromListAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/SelectNewTreeAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/SelectTreeAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/SetBranchAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/SubstructureFromListAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/SubstructuresFromFileAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/TreeOptionsAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/VerifyUnreachableRulesAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/VerifyUnusedCategories.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/ViewTreeAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/actions/package.html
+- Toxtree-v2.6.13/src/toxtree/ui/tree/categories/CategoriesPanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/categories/CategoriesTableModel.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/categories/CategoryPanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/categories/package.html
+- Toxtree-v2.6.13/src/toxtree/ui/tree/molecule/CompoundPanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/package.html
+- Toxtree-v2.6.13/src/toxtree/ui/tree/qsar/DescriptorOptions.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/qsar/OptionsPanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/qsar/QSARModelEditor.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/qsar/RuleQSARModelEditor.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/rules/DecisionNodesListTableModel.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/rules/RuleDeleteSubstructureAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/rules/RuleEditor.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/rules/RuleExampleEditAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/rules/RuleMoleculeEditAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/rules/RulePanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/rules/RulePropertyEditor.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/rules/RuleRangeEditor.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/rules/RuleStructuresPanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/rules/RuleSubstructuresEditAction.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/rules/SMARTSRuleEditor.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/rules/SmartsPanelEditor.java
+- Toxtree-v2.6.13/src/toxtree/ui/tree/rules/SubstructureRulePanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/wizard/DecisionNodeWizard.java
+- Toxtree-v2.6.13/src/toxtree/ui/wizard/DecisionTreeWizard.java
+- Toxtree-v2.6.13/src/toxtree/ui/wizard/EditorPanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/wizard/ListPanelDescriptor.java
+- Toxtree-v2.6.13/src/toxtree/ui/wizard/RadioBoxPanel.java
+- Toxtree-v2.6.13/src/toxtree/ui/wizard/ToxTreeWizardPanelDescriptor.java
+- Toxtree-v2.6.13/src/toxtree/ui/wizard/WizardWrapper.java
+- Toxtree-v2.6.13/src/toxtree/ui/wizard/package.html
+- Toxtree-v2.6.13/src/verhaar/VerhaarScheme.java
+- Toxtree-v2.6.13/src/verhaar/VerhaarScheme.properties
+- Toxtree-v2.6.13/src/verhaar/categories/Class1BaselineToxicity.java
+- Toxtree-v2.6.13/src/verhaar/categories/Class2LessInertCompounds.java
+- Toxtree-v2.6.13/src/verhaar/categories/Class3UnspecificReactivity.java
+- Toxtree-v2.6.13/src/verhaar/categories/Class4SpecificMechanism.java
+- Toxtree-v2.6.13/src/verhaar/categories/Class5Unknown.java
+- Toxtree-v2.6.13/src/verhaar/categories/package.html
+- Toxtree-v2.6.13/src/verhaar/package.html
+- Toxtree-v2.6.13/src/verhaar/query/AromaticQueryBond.java
+- Toxtree-v2.6.13/src/verhaar/query/FunctionalGroups.java
+- Toxtree-v2.6.13/src/verhaar/query/OrderQueryBondAromatic.java
+- Toxtree-v2.6.13/src/verhaar/query/QueryAssociationBond.java
+- Toxtree-v2.6.13/src/verhaar/query/QueryUnsaturatedBond.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule01.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule03.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule11.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule13.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule14.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule141.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule142.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule143.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule144.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule15.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule151.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule152.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule153.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule154.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule16.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule161.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule17.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule171.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule21.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule22.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule23.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule24.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule25.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule31.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule32.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule33.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule34.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule35.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule36.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule37.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule38.java
+- Toxtree-v2.6.13/src/verhaar/rules/Rule4.java
+- Toxtree-v2.6.13/src/verhaar/rules/RuleAlertsClass1.java
+- Toxtree-v2.6.13/src/verhaar/rules/RuleAlertsClass2.java
+- Toxtree-v2.6.13/src/verhaar/rules/RuleAlertsClass3.java
+- Toxtree-v2.6.13/src/verhaar/rules/RuleIonicGroups.java
+- Toxtree-v2.6.13/src/verhaar/rules/RuleLogPRange.java
+- Toxtree-v2.6.13/src/verhaar/rules/RuleRingMainStrucSubstituents.java
+- Toxtree-v2.6.13/src/verhaar/rules/RuleVerifyClass1Alerts.java
+- Toxtree-v2.6.13/src/verhaar/rules/RuleVerifyClass2Alerts.java
+- Toxtree-v2.6.13/src/verhaar/rules/RuleVerifyClass3Alerts.java
+- Toxtree-v2.6.13/src/verhaar/rules/VerhaarTreeResult.java
+- Toxtree-v2.6.13/src/verhaar/rules/helper/RuleAnySubstructureCounter.java
+- Toxtree-v2.6.13/src/verhaar/rules/helper/RuleElementsCounter.java
+- Toxtree-v2.6.13/src/verhaar/rules/helper/RuleOnlyAllowedSubstructuresCounter.java
+- Toxtree-v2.6.13/src/verhaar/rules/package.html
+- ext/toxtree/extconf.rb
+- lib/toxtree.rb
+- test/toxtree.rb
+homepage: http://github.com/opentox/toxtree
+licenses:
+- GPL-3.0
+metadata: {}
+post_install_message:
+rdoc_options: []
+require_paths:
+- lib
+required_ruby_version: !ruby/object:Gem::Requirement
+  requirements:
+  - - ">="
+    - !ruby/object:Gem::Version
+      version: '0'
+required_rubygems_version: !ruby/object:Gem::Requirement
+  requirements:
+  - - ">="
+    - !ruby/object:Gem::Version
+      version: '0'
+requirements: []
+rubyforge_project: toxtree
+rubygems_version: 2.6.11
+signing_key:
+specification_version: 4
+summary: Toxtree Ruby wrapper
+test_files:
+- test/toxtree.rb