[Rdkit-devel] Pharm2D -- 4-point pharmacophores
Open-Source Cheminformatics and Machine Learning
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From: Ondrej M. <mit...@gm...> - 2016-02-09 20:59:18
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Hello, I'd like to implement four-point (or generally N-point) pharmacophores into rdkit's Pharm2D module. It seems that same parts of the module can support more-than-three-point pharmacophores without any modification, while some other can't. Is there any more thorough documentation than the one generated by epydoc which could help me uderstand how the generation of 2D pharmacophore fingerprints works? Thanks, Ondrej |