Extending the activity cliff concept: structural categorization of activity cliffs and systematic identification of different types of cliffs in the ChEMBL database.

Hu, Ye

Extending the activity cliff concept: structural categorization of activity cliffs and systematic identification of different types of cliffs in the ChEMBL database. [electronic resource] - Journal of chemical information and modeling Jul 2012 - 1806-11 p. digital

Publication Type: Journal Article

1549-960X

10.1021/ci300274c doi


Databases, Chemical
Drug Discovery
Molecular Structure