Dissimilarity-based approaches to compound acquisition

Current Opinion in Chemical Biology
Michael Lajiness, Ian Watson

Abstract

The concept of molecular diversity has been integrated in drug discovery efforts for many years. Applications of molecular diversity have been used to identify compounds for screening and to select compounds to augment proprietary collections. These early efforts were crude and suffered from a number of faults, but their evolution has, over the years, led to an improvement in the computational procedures used to identify new commercial compounds for acquisition. Although not much has recently been written about modern methods for augmenting compound collections, this activity is still a very relevant and important task to those involved with the development of compound collections. This review focuses on the process and software used to identify compounds deemed worthy of acquisition.

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Citations

Apr 30, 2011·Journal of Chemical Information and Modeling·Quan LiaoIan A Watson
Oct 16, 2012·Journal of Chemical Information and Modeling·Gregory A BakkenTerence P Wood
May 1, 2009·Expert Opinion on Drug Discovery·Warren Rjd Galloway, David R Spring
Dec 23, 2015·Journal of Cheminformatics·Yocheved GiladHanoch Senderowitz
Nov 12, 2018·Environmental Science and Pollution Research International·Akram Seifi, Hossien Riahi-Madvar
Feb 10, 2020·The Science of the Total Environment·Rasoul MemarzadehSeyed Mostafa Mortazavi
Dec 22, 2011·Journal of Medicinal Chemistry·Thibault VarinAnsgar Schuffenhauer

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