Ligand-based target prediction with signature fingerprints

Journal of Chemical Information and Modeling

Volumn 54, Issue 10, 2014, Pages 2647-2653

  Alvarsson, Jonathan ^a   Eklund, Martin ^a,c   Engkvist, Ola ^d   Spjuth, Ola ^a,b   Carlsson, Lars ^d   Wikberg, Jarl E S ^a   Noeske, Tobias ^d  

^a UPPSALA UNIVERSITY   (Sweden)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

^d ASTRAZENECA R AND D   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ENGINEERING; CHEMISTRY;

CHEMICAL FINGERPRINT; CHEMICAL SIMILARITY; MOLECULAR SIGNATURES; POTENTIAL DRUG; RECEIVER OPERATING CHARACTERISTICS; SIMILARITY SEARCHING; TARGET BINDING; TARGET PREDICTION;

FORECASTING;

LIGAND;

AREA UNDER THE CURVE; CHEMICAL DATABASE; CHEMICAL MODEL; CHEMICAL STRUCTURE; COMPUTER PROGRAM; COMPUTER SIMULATION; DRUG DESIGN; MOLECULAR IMPRINTING; PROCEDURES; RECEIVER OPERATING CHARACTERISTIC;

AREA UNDER CURVE; COMPUTER SIMULATION; DATABASES, CHEMICAL; DRUG DESIGN; LIGANDS; MODELS, CHEMICAL; MOLECULAR IMPRINTING; MOLECULAR STRUCTURE; ROC CURVE; SOFTWARE;

EID: 84908226575     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500361u     Document Type: Article

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