mol-healer 0.1.2__py3-none-any.whl → 0.1.3__py3-none-any.whl

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Files changed (10) hide show
  1. healer/__init__.py +1 -1
  2. healer/data/reactions/reaction_tags.txt +116 -0
  3. healer/web/static/assets/{index-26iheSaM.js → index-CNuOgwuw.js} +24 -24
  4. healer/web/static/index.html +1 -1
  5. {mol_healer-0.1.2.dist-info → mol_healer-0.1.3.dist-info}/METADATA +1 -1
  6. {mol_healer-0.1.2.dist-info → mol_healer-0.1.3.dist-info}/RECORD +10 -9
  7. {mol_healer-0.1.2.dist-info → mol_healer-0.1.3.dist-info}/WHEEL +0 -0
  8. {mol_healer-0.1.2.dist-info → mol_healer-0.1.3.dist-info}/entry_points.txt +0 -0
  9. {mol_healer-0.1.2.dist-info → mol_healer-0.1.3.dist-info}/licenses/LICENSE +0 -0
  10. {mol_healer-0.1.2.dist-info → mol_healer-0.1.3.dist-info}/top_level.txt +0 -0
healer/__init__.py CHANGED
@@ -3,7 +3,7 @@
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  from healer.application.healer import MoleculeHEALER, SiteHEALER, FragmentHEALER
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  from healer.domain.bb_repository import get_repository, clear_repository_cache, BB_PATHS
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- __version__ = "0.1.2"
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+ __version__ = "0.1.3"
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  __all__ = [
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  "MoleculeHEALER",
healer/data/reactions/reaction_tags.txt ADDED
@@ -0,0 +1,116 @@
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+ 4-hydroxyquinoline
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+ Barton-Zard
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+ Biginelli
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+ Bischler-Mohlau
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+ Buchwald-Hartwig
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+ C-C
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+ C-C bond formation
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+ C-N
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+ C-N bond formation
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+ C-O
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+ C-O bond formation
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+ C-S
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+ C-S bond formation
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+ CO insertion
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+ Castro-Stephens
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+ Chan-Lam
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+ Claisen
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+ Conrad-Limpach
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+ Curtius Rearrangement
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+ Erlenmeyer-Plochl
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+ Feist-Benary
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+ Fischer
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+ Friedel-Crafts
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+ Friedlander
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+ Goldberg
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+ Guareshi-Thorpe
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+ Hantzsch
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+ Heck
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+ Knorr
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+ Krohnke
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+ Mitsunobu
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+ N-arylation
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+ Negishi
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+ Niementowski
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+ O-arylation
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+ Paal-Knorr
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+ Pechmann
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+ Pictet-Spengler
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+ S-arylation
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+ Sonagashira
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+ Stille
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+ Suzuki
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+ Ullman
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+ Ullmann
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+ Williamson
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+ acetylene
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+ acylation
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+ alkylation
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+ alkyne
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+ all
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+ amide
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+ amide coupling
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+ amination
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+ amine
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+ aminothiophene
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+ arylation
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+ azlactone
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+ azole
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+ benzimidazole
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+ benzofuran
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+ benzothiazole
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+ benzothiophene
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+ benzoxazole
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+ beta-ketoester
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+ biaryl
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+ biginelli
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+ boronate
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+ boronic acid
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+ boronic ester
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+ carbamate
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+ carbamates
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+ chromanone
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+ click
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+ condensation
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+ coumarin
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+ cross coupling
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+ cyclization
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+ diaryl amine
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+ diketone
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+ diyne
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+ ester
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+ esterification
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+ ether
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+ etherification
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+ flavone
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+ furan
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+ heterocycle
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+ heterocycle formation
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+ imidazole
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+ indole
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+ organostannane
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+ oxadiazole
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+ oxazole
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+ phthalazinone
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+ pyrazole
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+ pyridine
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+ pyridone
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+ pyrimidine
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+ pyrimidinedione
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+ pyrimidone
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+ pyrrole
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+ quinazoline
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+ quinazolinone
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+ quinoline
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+ reductive amination
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+ spiro-chromanone
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+ sulfonamide
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+ tetrazole
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+ thiazole
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+ thioether
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+ thiophene
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+ thiourea
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+ triazole
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+ trifluoroborate
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+ urea
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+ ureas