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(195) Pt NMR parameters as strong descriptors in one-parameter QSAR models for platinum-based antitumor compounds.

Author(s) Tsipis, A.C.; Karapetsas, I.N.
Journal Magn Reson Chem
Date Published 2017 Jul
Abstract

Highly predictive one-parameter quantitative structure-activity relationship models have been developed for platinum-based anticancer drugs using the (195) Pt NMR parameters as strong descriptors. The developed quantitative structure-activity relationship models were applied in diverse homogeneous sets of antiproliferative Pt(II) and Pt(IV) compounds. These observations form the basis for making predictions of cytotoxicity for a broad range of platinum-based antitumor compounds just from inspection of calculated or experimentally determined (195) Pt NMR parameters. Copyright © 2016 John Wiley & Sons, Ltd.

DOI 10.1002/mrc.4570
ISSN 1097-458X
Citation Tsipis AC, Karapetsas IN. (195) Pt NMR parameters as strong descriptors in one-parameter QSAR models for platinum-based antitumor compounds. Magn Reson Chem. 2017;55(7):662-669.