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Titolo:
REPRESENTATION OF CHEMICAL STRUCTURES IN KNOWLEDGE-BASED SYSTEMS - THE STAR SYSTEM
Autore:
TONNELIER CAG; FOX J; JUDSON P; KRAUSE P; PAPPAS N; PATEL M;
Indirizzi:
UNIV LEEDS,SCH CHEM,LHASA UK LTD LEEDS LS2 9JT W YORKSHIRE ENGLAND IMPERIAL CANC RES FUND,LINCOLNS INN FIELDS LONDON WC2A 3PX ENGLAND LOG PROGRAMMING ASSOCIATES LTD LONDON SW18 3SX ENGLAND
Titolo Testata:
Journal of chemical information and computer sciences
fascicolo: 1, volume: 37, anno: 1997,
pagine: 117 - 123
SICI:
0095-2338(1997)37:1<117:ROCSIK>2.0.ZU;2-Q
Fonte:
ISI
Lingua:
ENG
Soggetto:
ASSISTED SYNTHETIC ANALYSIS; COMPUTER-STORAGE; RETRIEVAL; TOXICITY; PATENTS; RULES;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
CompuMath Citation Index
CompuMath Citation Index
Science Citation Index Expanded
Science Citation Index Expanded
Science Citation Index Expanded
Citazioni:
21
Recensione:
Indirizzi per estratti:
Citazione:
C.A.G. Tonnelier et al., "REPRESENTATION OF CHEMICAL STRUCTURES IN KNOWLEDGE-BASED SYSTEMS - THE STAR SYSTEM", Journal of chemical information and computer sciences, 37(1), 1997, pp. 117-123

Abstract

As part of the StAR project, for the design of a computer system to support risk assessment, it has been necessary to develop a graphical language for the representation of generic structures. These structuresare used by rule writers to describe toxicophores for risk assessment. Until now, the input of generic structures in knowledge-based systems has very often been by means of a SMILES-like linear notation. The new StAR graphical language allows the use of a wide range of Markush features including atom lists, bond lists, G-groups, and superatoms. Inaddition, the StAR graphical language allows rule writers to input rules easily to the knowledge base via a user-friendly graphical interface. This language is well-suited for the representation of chemical features required for expert general toxicity systems, chemical reactionsystems, and substructure database systems.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 09/04/20 alle ore 00:16:09