Multi-class mode of action classification of toxic compounds using logic based kernel methods

Molecular Informatics

Volumn 29, Issue 8-9, 2010, Pages 655-664

  Lodhi, Huma ^a   Muggleton, Stephen ^b   Sternberg, Mike J E ^b  

^a BRUNEL UNIVERSITY   (United Kingdom)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

Drug design; Inductive Logic Programming; Molecular modelling; Multi class classification; Predictive toxicology; Support vector machines

Indexed keywords

CLASSIFICATION (OF INFORMATION); COMPUTER CIRCUITS; INDUCTIVE LOGIC PROGRAMMING (ILP); RISK ASSESSMENT; TOXICITY;

DRUG DESIGN; INDUCTIVE LOGIC; INDUCTIVE LOGIC PROGRAMMING; KERNEL-METHODS; LOGIC-PROGRAMMING; MODE OF ACTION; MULTI-CLASS CLASSIFICATION; PREDICTIVE TOXICOLOGY; SUPPORT VECTORS MACHINE; TOXIC COMPOUNDS;

SUPPORT VECTOR MACHINES;

SILICON; TOXIC SUBSTANCE;

AQUATIC ENVIRONMENT; ARTICLE; CHEMICAL STRUCTURE; ENVIRONMENTAL IMPACT; KERNEL METHOD; MEDICAL INFORMATICS; PRIORITY JOURNAL; RISK ASSESSMENT; SUPPORT VECTOR MACHINE; TOXICITY;

EID: 78650218672     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.201000083     Document Type: Article

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