BCL::Mol2D-a robust atom environment descriptor for QSAR modeling and lead optimization.

Vu O, Mendenhall J, Altarawy D, Meiler J
J Comput Aided Mol Des. 2019 33 (5): 477-486

PMID: 30955193 · PMCID: PMC6824857 · DOI:10.1007/s10822-019-00199-8

MeSH Terms (7)

Algorithms Drug Design Drug Discovery Humans Ligands Quantitative Structure-Activity Relationship Small Molecule Libraries

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