Constructor and Description |
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StandardSubstructureSets() |
Modifier and Type | Method and Description |
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static String[] |
getCountableMACCSSMARTS()
Subset of the MACCS fingerprint definitions.
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static String[] |
getFunctionalGroupSMARTS()
The functional groups.
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public static String[] getFunctionalGroupSMARTS() throws Exception
Exception
- if there is an error parsing SMILES for the functional groupspublic static String[] getCountableMACCSSMARTS() throws Exception
Exception
- if there is an error parsing SMILES patternsCopyright © 2021. All rights reserved.