A Data Mining Method To Facilitate SAR Transfer

Abstract

A challenging practical problem in medicinal chemistry is the transfer of SAR information from one chemical series to another. Currently, there are no computational methods available to rationalize or support this process. Herein, we present a data mining approach that enables the identification of alternative analog series with different core structures… (More)
DOI: 10.1021/ci200254k

Topics

Cite this paper

@article{Wassermann2011ADM, title={A Data Mining Method To Facilitate SAR Transfer}, author={Anne Mai Wassermann and J{\"u}rgen Bajorath}, journal={Journal of chemical information and modeling}, year={2011}, volume={51 8}, pages={1857-66} }