Visually guiding and controlling the search while mining chemical structures

• Type: Article in International Conference Proceedings Book
• Date: 2009

Authors

Max Pereira (Author) Other; Vítor Santos Costa (Author) FCUP; Rui Camacho (Author) FEUP; Nuno A. Fonseca (Author) Other

Conference proceedings International

Title: DISTRIBUTED COMPUTING, ARTIFICIAL INTELLIGENCE, BIOINFORMATICS, SOFT COMPUTING, AND AMBIENT ASSISTED LIVING, PT II, PROCEEDINGS

Pages: 1043-1046

10th International Work-Conference on Artificial Neural Networks (IWANN 2009)

Salamanca, SPAIN, JUN 10-12, 2009

Indexing

ISI Web of Knowledge - 0 Citations

Scopus - 0 Citations

INSPEC

Scientific classification

CORDIS: Health sciences > Pharmacological sciences ; Physical sciences > Computer science

FOS: Natural sciences > Computer and information sciences

Other information

Authenticus ID: P-003-PPN

DOI: 10.1007/978-3-642-02481-8_158

Abstract (EN): In this paper we present the work in progress on LogCHEM, an ILP based tool for discriminative interactive mining of chemical fragments. In particular, we describe the integration with a molecule visualisation software that allows the chemist to graphically control the search for interesting patterns in chemical fragments. Furthermore, we show how structured information, such as rings, functional groups like carboxyl, amine, methyl, ester, etc are integrated and exploited in LogCHEM.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 4