Stars indicate closer matches.


Sensitivity and specificity 
Scoring functions for docking
Precision and recall
Receiver operating characteristic
Total operating characteristic
Cramér's V
Diagnostic odds ratio
F-score
Goodman and Kruskal's lambda
P4-metric
Positive and negative predictive values
Uncertainty coefficient
Chemical database
Chemical Markup Language
Chemical space
Cheminformatics
Chemogenomics
Chemometrics
CSA Trust
Journal of Chemical Information and Modeling
List of cheminformatics toolkits
Molecule mining
Protein–ligand docking
Quantitative structure–activity relationship
Bias–variance tradeoff
Binary classification
Confusion matrix
Double descent
Evaluation of binary classifiers
Leakage (machine learning)
Prior knowledge for pattern recognition
Proaftn
Probability matching
AnIML
Bioclipse
Chemaxon
Chemical library
Enzyme Commission number
Pharmacoinformatics
Retro screening
Virtual screening
Attack rate
Adaptive sampling
CAMEO3D
CASP
Docking (molecular)
Folding@home
Global distance test
Molecular modelling
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