kazius-alerts 0.0.3 → 0.0.4
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- checksums.yaml +4 -4
- data/kazius-alerts.gemspec +1 -1
- data/lib/kazius-alerts.rb +0 -21
- metadata +1 -1
checksums.yaml
CHANGED
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@@ -1,7 +1,7 @@
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1
1
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---
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2
2
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SHA1:
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3
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-
metadata.gz:
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4
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-
data.tar.gz:
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3
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+
metadata.gz: 5ac364ebc693f3d987ebe695bc59524bfcb5e020
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4
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+
data.tar.gz: 7b9e508afe3460b1be9a16e9c5df2bcb8f86e50a
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5
5
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SHA512:
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6
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-
metadata.gz:
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7
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-
data.tar.gz:
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6
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+
metadata.gz: 988a2d77611304fce6dcb7d5a7f0ae424ce4bb407db0aa14d2d94fb54a6c771d3e08c28f715db019f59056f39d8c122ce82b58b0d3c706e6b02a4a13299dead9
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7
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+
data.tar.gz: f55c6f3cca6cba1dec48acfe5970d10d1cece2ae75bb6afd41489e27257e5246d10da47d0144e4fc023161f8dbd145300a42af954f5d4fb35af1d181c80297f4
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data/kazius-alerts.gemspec
CHANGED
data/lib/kazius-alerts.rb
CHANGED
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@@ -83,24 +83,3 @@ class KaziusAlerts
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83
83
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end
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84
84
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85
85
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end
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86
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-
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87
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-
class ConsensusMutagenicity
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88
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-
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89
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-
def self.predict smiles
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90
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-
sa_prediction = KaziusAlerts.predict smiles
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91
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-
lazar_prediction = Lazar.predict smiles
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92
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-
confidence = 0
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93
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-
if sa_prediction[:prediction] == false && lazar_mutagenicity.prediction == 0
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94
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-
confidence = 0.85
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95
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-
elsif sa_prediction[:prediction] == true && lazar_mutagenicity.prediction == 1
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96
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-
confidence = 0.85 * ( 1 - sa_prediction[:error_product] )
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97
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-
elsif sa_prediction[:prediction] == false && lazar_mutagenicity.prediction == 1
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98
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-
confidence = 0.11
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99
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-
elsif sa_prediction[:prediction] == true && lazar_mutagenicity.prediction == 0
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100
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-
confidence = ( 1 - sa_prediction[:error_product] ) - 0.57
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101
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-
end
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102
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-
{:prediction => prediction, :confidence => confidence}
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103
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-
end
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104
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-
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105
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-
end
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106
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-
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