R-group replacement resource

Published: 29 September 2021| Version 1 | DOI: 10.17632/pz7kkhk2bv.1
Contributor:
Juergen Bajorath

Description

A database with R-groups frequently used in medicinal chemistry and their preferred replacements is provided. For frequently used R-groups, replacements are organized in hierarches as specified in the readme.txt file.

Files

Steps to reproduce

Please, see readme.txt file.

Categories

Drug Discovery, Computational Medicinal Chemistry, Cheminformatics

Licence