Concepedia
Journal of Pharmaceutical and Biomedical Analysis · 2021 · 13 citations · 28 references
Open access
28
Partial least-squares regression: a tutorial
Paul Geladi, Bruce R. Kowalski · Analytica Chimica Acta · 1986 · 6.9K citations
Engineering, Regression Analysis, Statistical Inference +4
Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments
G. Madhavi Sastry, Matvey Adzhigirey, Tyler Day et al. · Journal of Computer-Aided Molecular Design · 2013 · 5.8K citations
Virtual Screening, Hit Identification, Drug Target +13
Principles of QSAR models validation: internal and external
Paola Gramatica · QSAR & Combinatorial Science · 2007 · 2.1K citations · Full text
Preclinical Therapeutics, Engineering, Verification And Validation +20
Variable selection in regression—a tutorial
Charlotte M. Andersen, Rasmus Bro · Journal of Chemometrics · 2010 · 691 citations
Engineering, Regression‐based Calibration Models, Calibration +13
Real External Predictivity of QSAR Models. Part 2. New Intercomparable Thresholds for Different Validation Criteria and the Need for Scatter Plot Inspection
Nicola Chirico, Paola Gramatica · Journal of Chemical Information and Modeling · 2012 · 512 citations · Full text