Ertl, Peter, Altmann, Eva and McKenna, Jeffrey (2020) The Most Common Functional Groups in Bioactive Molecules and How Their Popularity Has Evolved over Time. Journal of medicinal chemistry, 63 (15). 8408-8418.

Abstract

The concept of functional groups (FGs) - sets of connected atoms that determine the intrinsic reactivity of the parent molecule and in part are responsible for the overall properties of the molecule form a foundation within modern medicinal chemistry. In this article we analyze occurrences of various FGs in molecules described in the medicinal chemistry literature in the last 25 years and their development and utilization over time. The popularity of various FGs is not evolving randomly but they show clear patterns of use. Various factors influencing these patterns, including introduction of new synthetic methods, novel techniques and strategies applied in the drug discovery and better knowledge of molecular properties affecting success of development candidates are discussed.

Item Type:	Article
Keywords:	functional groups, synthetic chemistry, bioisosteres, cheminformatics
Date Deposited:	22 Sep 2020 00:45
Last Modified:	22 Sep 2020 00:45
URI:	https://oak.novartis.com/id/eprint/42699