chloropentafluorobenzene fails to be recoognized as a halogenated benzene by mutant.rules.SA31a_nogen .
Olga, could you please check the SMARTS ?
SA31a_nogen is not included in the Carcinogenicity/Mutagenicity plugin at all . Although the rule exists in code, it is not included in the decision tree.
Olga, could you please check if this is intentional?
mutant.BB_CarcMutRules.java ... "mutant.rules.SA27_gen", //25 "mutant.rules.SA28_gen", //26 "mutant.rules.SA28bis_gen", //27 "mutant.rules.SA28ter_gen", //28 "mutant.rules.SA29_gen", //29 "mutant.rules.SA30_gen", //30 "mutant.rules.SA37_gen", //28//31 "mutant.rules.SA38_gen", //32 "mutant.rules.SA39_gen_and_nogen", //33
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SA31a_nogen is not included in the Carcinogenicity/Mutagenicity plugin at all . Although the rule exists in code, it is not included in the decision tree.
Olga, could you please check if this is intentional?