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Posted
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ticket #1334
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The Chemistry Development Kit
I try to discriminate two chemistry different by smiles. Because smiles different...
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Modified
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ticket #1334
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The Chemistry Development Kit
SignatureFingerprinter fingerprinter = new SignatureFingerprinter(); ICountFingerprint...
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Modified
a comment
on
ticket #1334
on
The Chemistry Development Kit
SignatureFingerprinter fingerprinter = new SignatureFingerprinter(); ICountFingerprint...
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Modified
a comment
on
ticket #1334
on
The Chemistry Development Kit
SignatureFingerprinter fingerprinter = new SignatureFingerprinter(); ICountFingerprint...
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Modified
a comment
on
ticket #1334
on
The Chemistry Development Kit
SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance()); IFingerprinter...
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Posted
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ticket #1334
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The Chemistry Development Kit
Can show me a code example? Thanks.
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Posted
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ticket #1334
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The Chemistry Development Kit
other example query: O=C1NC2=C(C=CC=C2)N1C(CC3)CCN3CC(C=C4)=CC=C4C(N5)=C(C6=CC=CC=C6)N=C(C(CC)C)C5=O...
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Created
ticket #1334
on
The Chemistry Development Kit
Tanimoto bug
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- you-iverson
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- 2013-12-31 07:31:44
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