Modify version of RDKit/Contrib/pzc #chemoinformatics #RDKit #ChEMBL #pychembldb

In 2013, Dr. Paul Czodrowski published nice article in JCIM. And the code is available from github. And also Paul contributed rdkit with the code. https://github.com/pzc/rdkit/tree/master/Contrib/pzc This code can build model from chembl activity data set with given accession number as a query. I had interest the code however, the code is old. So itContinue reading “Modify version of RDKit/Contrib/pzc #chemoinformatics #RDKit #ChEMBL #pychembldb”

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