Applicability domains for classification problems: Benchmarking of distance to models for Ames mutagenicity set. [electronic resource]
- Journal of chemical information and modeling Dec 2010
- 2094-111 p. digital
Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't
1549-960X
10.1021/ci100253r doi
Benchmarking--methods Classification--methods Mutagenicity Tests--methods Principal Component Analysis Quantitative Structure-Activity Relationship