Representation of molecular structure using quantum topology with inductive logic programming in structure-activity relationships

Journal of Computer-Aided Molecular Design

Volumn 20, Issue 6, 2006, Pages 361-373

  Buttingsrud, Bård ^a   Ryeng, Einar ^a   King, Ross D ^b   Alsberg, Bjørn K ^a  

^a NORWEGIAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Norway)

^b ABERYSTWYTH UNIVERSITY   (United Kingdom)

Author keywords

Atomsin molecules (AIM); Bader theory; Inductive logic programming (ILP); Quantitative structure activity relationship (QSAR); Structure representation using quantum topology (StruQT); Structure activity relationship (SAR)

Indexed keywords

COMPUTATIONAL CHEMISTRY; COMPUTER CIRCUITS; ELECTRONIC STRUCTURE; INDUCTIVE LOGIC PROGRAMMING (ILP); MOLECULAR GRAPHICS; TOPOLOGY;

ATOMS IN MOLECULES; ATOMSIN MOLECULE; BADER THEORY; INDUCTIVE LOGIC; INDUCTIVE LOGIC PROGRAMMING; LOGIC-PROGRAMMING; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUANTUM TOPOLOGY; STRUCTURE REPRESENTATION USING QUANTUM TOPOLOGY; STRUCTURE-ACTIVITY RELATIONSHIP; STRUCTURE-ACTIVITY RELATIONSHIPS;

MOLECULES;

BLOOD CLOTTING FACTOR 10A INHIBITOR;

ARTICLE; ARTIFICIAL INTELLIGENCE; ATOM; BINDING AFFINITY; CHEMICAL BOND; COMPUTER AIDED DESIGN; COMPUTER NETWORK; COMPUTER PROGRAM; DATA ANALYSIS; DRUG CLASSIFICATION; DRUG STRUCTURE; MOLECULAR MODEL; MUTAGENICITY; PREDICTION; PRIORITY JOURNAL; PROBLEM SOLVING; QUANTITATIVE ANALYSIS; QUANTUM CHEMISTRY; QUANTUM THEORY; STRUCTURE ACTIVITY RELATION;

EID: 33750204884     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-006-9058-y     Document Type: Article

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