Automatic selection of molecular descriptors using random forest: Application to drug discovery

Expert Systems with Applications

Volumn 72, Issue , 2017, Pages 151-159

  Cano, Gaspar ^a   Garcia Rodriguez, Jose ^a   Garcia Garcia, Alberto ^a   Perez Sanchez, Horacio ^b   Benediktsson, Jón Atli ^c   Thapa, Anil ^c   Barr, Alastair ^d  

^a UNIVERSITY OF ALICANTE   (Spain)

^b CATHOLIC UNIVERSITY OF MURCIA   (Spain)

^c UNIVERSITY OF ICELAND   (Iceland)

^d UNIVERSITY OF WESTMINSTER   (United Kingdom)

Author keywords

Computational chemistry; Drug discovery; Molecular descriptors; Random forest

Indexed keywords

CLASSIFICATION (OF INFORMATION); COMPUTATIONAL CHEMISTRY; DECISION TREES; DIMENSIONALITY REDUCTION; ENZYMES; FORECASTING; INTELLIGENT COMPUTING; RANDOM FORESTS; SUPPORT VECTOR MACHINES;

AUTOMATIC SELECTION; BIOACTIVE MOLECULES; CLASSIFICATION RESULTS; COMPUTATIONAL INTELLIGENCE TECHNIQUES; DRUG DISCOVERY; MOLECULAR DESCRIPTORS; NEURAL NETWORK (NN); NUCLEAR HORMONE RECEPTOR;

FEATURE EXTRACTION;

EID: 85006745435     PISSN: 09574174     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.eswa.2016.12.008     Document Type: Article

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