Discover @arthuc01 Open Source projects

Chris Arthur (@arthuc01)

arthuc01

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HERG-QSAR

Using RDKIT and SciKit-Learn to analyse Herg data from Chembl

RDKit-Cats2D

Modification of the code of Rajarshi Guha (which uses OECHem) to use RDKIT.

2d-pharmacophore-search

simple rdkit script