Concepedia
Molecular Diversity · 2012 · 10 citations · 42 references
Chemical MeasurementChemical AnalysisBiochemistryMetabolic ActivationMedicineQsar ClassificationChemical AgentReactive SpeciesMolecular RecognitionPharmacologyDrug Discovery
42
An introduction to ROC analysis
Tom Fawcett · Pattern Recognition Letters · 2005 · 20.5K citations
Data Classification, Classification Method, Engineering +8
Comparison of the predicted and observed secondary structure of T4 phage lysozyme
Brian W. Matthews · Biochimica et Biophysica Acta (BBA) - Protein Structure · 1975 · 5.2K citations
Biochemistry, Biomolecular Structure Prediction, Protein Folding +9
Beware of q2!
Alexander Golbraikh, Alexander Tropsha · Journal of Molecular Graphics and Modelling · 2002 · 3.6K citations
Engineering, Quantum Computing, Post-quantum Cryptography +4
PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints
Chun Wei Yap · Journal of Computational Chemistry · 2010 · 2.8K citations · Full text
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 · 2.1K citations
Engineering, Machine Learning, Behavioral Decision Making +23