On a simple approach for determining applicability domain of QSAR models

PLS-regression: a basic tool of chemometrics

Svante Wold, Michael Sjöstróm, Lennart Eriksson · Chemometrics and Intelligent Laboratory Systems · 2001 · 9.7K citations

Natural Sciences, Chemistry, Analytical Chemistry +6

Principles of QSAR models validation: internal and external

Paola Gramatica · QSAR & Combinatorial Science · 2007 · 2.2K citations · Full text

Pharmacy, Medicinal Chemistry, Drug Design +13

QSAR Modeling: Where Have You Been? Where Are You Going To?

Artem Cherkasov, Eugene Muratov, Denis Fourches et al. · Journal of Medicinal Chemistry · 2013 · 2.1K citations

Pharmacy, Medicinal Chemistry, Computational Chemistry +16

Current Status of Methods for Defining the Applicability Domain of (Quantitative) Structure-Activity Relationships

Tatiana I. Netzeva, Andrew Worth, Tom Aldenberg et al. · Alternatives to Laboratory Animals · 2005 · 814 citations

Pharmacy, Pharmacology, Drug Design +9

Polycyclic aromatic hydrocarbons: a QSPR study

Márcia M. C. Ferreira · Chemosphere · 2001 · 133 citations

Natural Sciences, Chemistry, Organic Chemistry +5