Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling

Journal of Cheminformatics

Volumn 7, Issue 1, 2015, Pages

  Cortes Ciriano, Isidro ^a   Murrell, Daniel S ^b   Van Westen, Gerard Jp ^c   Bender, Andreas ^b   Malliavin, Thérèse E ^a  

^a CNRS   (France)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^c WELLCOME TRUST SANGER INSTITUTE   (United Kingdom)

Author keywords

Applicability domain; Chemogenomics; Cyclooxygenases; Ensemble modeling; Proteochemometrics; QSAR

Indexed keywords

EID: 84924256017     PISSN: None     EISSN: 17582946     Source Type: Journal    
DOI: 10.1186/s13321-014-0049-z     Document Type: Article

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