Concepedia
European Journal of Medicinal Chemistry · 2010 · 26 citations · 20 references
PharmacyPharmacologyToxicologyDrug DiscoveryStructure-activity RelationshipsBioactive Food ComponentsChemical Structure-activity Relationships
20
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
Revised methods for the Salmonella mutagenicity test
Dorothy M. Maron, Bruce N. Ames · Mutation Research/Environmental Mutagenesis and Related Subjects · 1983 · 7.4K citations
Pharmacy, Microbiology, Toxicology +7
Beware of q2!
Alexander Golbraikh, Alexander Tropsha · Journal of Molecular Graphics and Modelling · 2002 · 3.7K citations
The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models
Alexander Tropsha, Paola Gramatica, Vijay K. Gombar · QSAR & Combinatorial Science · 2003 · 2.2K citations
Pharmacy, Medicinal Chemistry, Drug Design +16
y-Randomization and Its Variants in QSPR/QSAR
Christoph Rücker, Gerta Rücker, Markus Meringer · Journal of Chemical Information and Modeling · 2007 · 937 citations
Pharmacy, Biostatistics, Medicinal Chemistry +14