Disease-specific differentiation between drugs and non-drugs using principal component analysis of their molecular descriptor space

Molecular Informatics

Volumn 31, Issue 5, 2012, Pages 369-383

  García Sosa, Alfonso T ^a   Oja, Mare ^a   Hetényi, Csaba ^b   Maran, Uko ^a  

^a UNIVERSITY OF TARTU   (Estonia)

^b EÖTVÖS LORÁND UNIVERSITY   (Hungary)

Author keywords

Drugs; Non drugs; Principal component analysis

Indexed keywords

CHEMICAL INDUSTRY; DRUG PRODUCTS; LEAD COMPOUNDS; PRINCIPAL COMPONENT ANALYSIS;

DRUG; MOLECULAR DESCRIPTORS; NATURAL PRODUCTS; NEGATIVE EXAMPLES; NON-DRUG; PATHOPHYSIOLOGY; PHYSICO-CHEMICAL DESCRIPTORS; PRINCIPAL-COMPONENT ANALYSIS; SMALL MOLECULES; SYNTHETIC PRODUCTS;

FREE ENERGY;

AGENTS ACTING ON THE GENITAL SYSTEM; ANTIINFECTIVE AGENT; ANTINEOPLASTIC AGENT; ANTIPARASITIC AGENT; CARDIOVASCULAR AGENT; DERMATOLOGICAL AGENT; GASTROINTESTINAL AGENT; HORMONE; RESPIRATORY TRACT AGENT; UNCLASSIFIED DRUG;

ARTICLE; CONFORMATION; DRUG ACTIVITY; LIGAND BINDING; PATHOPHYSIOLOGY; PHYSICAL CHEMISTRY; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; QUANTUM CHEMISTRY; SCORING SYSTEM; SOLVATION;

EID: 84860505355     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.201100094     Document Type: Article

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