A multidimensional analysis of machine learning methods performance in the classification of bioactive compounds

Chemometrics and Intelligent Laboratory Systems

Volumn 128, Issue , 2013, Pages 89-100

  Smusz, Sabina ^a,b   Kurczab, Rafał ^a   Bojarski, Andrzej J ^a  

^a INSTITUTE OF PHARMACOLOGY   (Poland)

^b JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

Classification; Drug design; Machine learning; Virtual screening

Indexed keywords

CYCLOOXYGENASE 2 INHIBITOR; HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITOR; METALLOPROTEINASE INHIBITOR; MUSCARINIC M1 RECEPTOR AGONIST; SEROTONIN 1A AGONIST;

ACCURACY; ARTICLE; BAGGING; BAYESIAN LEARNING; CHEMICAL ANALYSIS; CLASSIFIER; CONTROLLED STUDY; DECORATE; DRUG CLASSIFICATION; FILTEREDCLASSIFIER; HYPERPIPES; IBK; INTERMETHOD COMPARISON; J48; LEARNING ALGORITHM; MACHINE LEARNING; MULTIBOOSTAB; PART; PREDICTION; PRIORITY JOURNAL; RANDOM FOREST; SMO; STATISTICAL ANALYSIS; VIRTUAL REALITY;

EID: 84883339723     PISSN: 01697439     EISSN: 18733239     Source Type: Journal    
DOI: 10.1016/j.chemolab.2013.08.003     Document Type: Article

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