Support vector machine (SVM) as alternative tool to assign acute aquatic toxicity warning labels to chemicals

Molecular Informatics

Volumn 29, Issue 1-2, 2010, Pages 51-64

  Michielan, Lisa ^a   Pireddu, Luca ^b   Floris, Matteo ^b   Moro, Stefano ^a  

^a UNIVERSITY OF PADOVA   (Italy)

^b CENTER FOR ADVANCED STUDIES   (Italy)

Author keywords

Acute aquatic toxicity; Computational toxicology; Molecular modeling; REACH chemical regulatory system; Structure activity relationships; Support vector machines

Indexed keywords

CHEMICAL HAZARDS; COMPUTATIONAL CHEMISTRY; INDICATORS (CHEMICAL); MOLECULAR GRAPHICS; RISK ASSESSMENT; TOPOLOGY; TOXICITY; VECTORS;

ACUTE AQUATIC TOXICITY; AQUATIC TOXICITY; COMPUTATIONAL TOXICOLOGY; DESCRIPTORS; REACH CHEMICAL REGULATORY SYSTEM; REGULATORY SYSTEMS; STRUCTURE-ACTIVITY RELATIONSHIPS; SUPPORT VECTORS MACHINE; TOXICODYNAMICS; TOXICOKINETICS;

SUPPORT VECTOR MACHINES;

CHEMICAL COMPOUND;

AQUATIC ENVIRONMENT; ARTICLE; CLASSIFIER; ECOTOXICITY; PREDICTION; PRIORITY JOURNAL; STANDARDIZATION; STATISTICAL MODEL; SUPPORT VECTOR MACHINE; TOXICITY TESTING; TOXICOKINETICS; TOXIN ANALYSIS;

EID: 77952663843     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.200900005     Document Type: Article

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