Document Report Card

ID: ALA1148457

Journal: J Med Chem

Title: Comparative molecular active site analysis (CoMASA). 1. An approach to rapid evaluation of 3D QSAR.

Authors: Kotani T, Higashiura K.

Abstract: We have developed a rapid evaluation method, comparative molecular active site analysis (CoMASA), for obtaining 3D QSAR. CoMASA has three major advantages: (1) the CoMASA results would easily transform to pharmacophore and/or queries required for 3D database searches, (2) the CoMASA method is not required to consider orientation and translation of molecules against a lattice, and (3) standard PCs can be used to perform the analysis. The potential of these improvements and possible further enhancements are discussed.

CiteXplore: 15139751

DOI: 10.1021/jm030364c