Please use this identifier to cite or link to this item: https://hdl.handle.net/10216/67148
Author(s): Max Pereira
Vítor Santos Costa
Rui Camacho
Nuno A. Fonseca
Title: Visually guiding and controlling the search while mining chemical structures
Issue Date: 2009
Abstract: 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.
Subject: Ciências farmacológicas, Ciência de computadores, Ciências da computação e da informação
Pharmacological sciences, Computer science, Computer and information sciences
Scientific areas: Ciências exactas e naturais::Ciências da computação e da informação
Natural sciences::Computer and information sciences
URI: https://repositorio-aberto.up.pt/handle/10216/67148
Source: DISTRIBUTED COMPUTING, ARTIFICIAL INTELLIGENCE, BIOINFORMATICS, SOFT COMPUTING, AND AMBIENT ASSISTED LIVING, PT II, PROCEEDINGS
Document Type: Artigo em Livro de Atas de Conferência Internacional
Rights: openAccess
License: https://creativecommons.org/licenses/by-nc/4.0/
Appears in Collections:FCUP - Artigo em Livro de Atas de Conferência Internacional
FEUP - Artigo em Livro de Atas de Conferência Internacional

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