Proteochemometric modelling coupled to in silico target prediction: An integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small molecules

Journal of Cheminformatics

Volumn 7, Issue 1, 2015, Pages

  Paricharak, Shardul ^a,b   Cortés Ciriano, Isidro ^c   Ijzerman, Adriaan P ^b   Malliavin, Thérèse E ^c   Bender, Andreas ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b LEIDEN UNIVERSITY   (Netherlands)

^c INSTITUT PASTEUR   (France)

Author keywords

chemogenomics; DHFR; plasmodium falciparum; proteochemometrics; QSAR; Target prediction

Indexed keywords

EID: 84928576102     PISSN: None     EISSN: 17582946     Source Type: Journal    
DOI: 10.1186/s13321-015-0063-9     Document Type: Article

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