Subject area:	Chemistry
More specific subject area:	Computational medicinal chemistry
Method name:	Third generation activity cliff identification
Name and reference of original method:	H. Hu, D. Stumpfe, J. Bajorath, Second-generation activity cliffs identified on the basis of target set-dependent potency difference criteria, Future Med. Chem. 11 (2019) 379-394. D. Stumpfe, H. Hu, J. Bajorath, Introducing a new category of activity cliffs with chemical modifications at multiple sites and rationalizing contributions of individual substitutions, Bioorg. Med. Chem. 27 (2019) 3605-3612.
Resource availability:	https://doi.org/10.5281/zenodo.1436584 H. Hu, D. Stumpfe, J. Bajorath, Systematic identification of target set-dependent activity cliffs. Future Sci. OA 5 (2019) FSO363.