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.

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