/tools/qed
qed
silicos-it/qed
14 stars6 forksPythonAdded February 4, 2026
summary
The QED (Quantitative Estimation of Drug-likeness) module calculates a molecular descriptor that reflects the drug-likeness of compounds based on various molecular properties. It utilizes RDKit for cheminformatics and provides different weighting schemes for QED calculations.
description
The QED (Quantitative Estimation of Drug-likeness) molecular descriptor to use in combination with RDKit
topics
uamcqedrdkitcheminformaticsmolecular-descriptorsgregory-gerebtzofflogpdescriptors
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