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uamc

Here are 2 public repositories matching this topic...

silicos-it / qed

The QED (Quantitative Estimation of Drug-likeness) molecular descriptor to use in combination with RDKit

cheminformatics rdkit qed descriptors molecular-descriptors logp uamc gregory-gerebtzoff

Updated Dec 12, 2022
Python

silicos-it / spectrophore

Spectrophore technology as published in J. Cheminformatics (2018) 10, 9

cheminformatics shape descriptors electrostatics uamc spectrophore lipophilicity electrophilicity

Updated Sep 19, 2024
Python

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