Ertl, Peter (2020) Craig plot 2.0 - An interactive navigation in the substituent bioisosteric space. Journal of Cheminformatics, 12 (2020). ISSN 1758-2946

Abstract

Bioisosteric replacement is a standard technique that is used in medicinal chemistry to design analogs of bioactive molecules with similar biological activity and with additional improved characteristics. Successful application of this technique relies on a good knowledge of properties of common organic substituents and an efficient way to navigate their space. In this study the properties of the most common substituents present in bioactive molecules are analysed and a freely-available web tool https://bit.ly/craigplot that allows visualization, analysis and selection of bioisosteric substituents is presented.

Item Type:	Article
Date Deposited:	04 Apr 2020 00:45
Last Modified:	04 Apr 2020 00:45
URI:	https://oak.novartis.com/id/eprint/41022