Comparison of Different Approaches to Define the Applicability Domain of QSAR Models.docVIP

Molecules 2012, 17, 4791-4810; doi:10.3390/moleculeOPEN ACCESS molecules ISSN 1420-3049 /journal/molecules Article Comparison of Different Approaches to Define the Applicability Domain of QSAR Models Faizan Sahigara, Kamel Mansouri, Davide Ballabio, Andrea Mauri, Viviana Consonni and Roberto Todeschini * Milano Chemometrics and QSAR Research Group, Department of Environmental Sciences, University of Milano-Bicocca, P.za della Scienza 1-20126 Milano, Italy; E-Mails: faizan.sahigara@unimib.it (F.S.); kamel.mansouri@unimib.it (K.M.); davide.ballabio@unimib.it (D.B.); andrea.mauri@uni