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cnsmpo

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Adam-maz / CNS_MPO_calculator

Here I provide some code that enables users to calculate CNS MPO score for their molecules, based on the SMILES and known pKa values.

python filter rdkit chemoinformatics descriptors object-oriented-programming virtual-screening admet computer-aided-drug-design medicinal-chemistry cnsmpo

Updated Feb 6, 2025
Python

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