Visually guiding and controlling the search while mining chemical structures

Detalhes bibliográficos
Autor(a) principal: Max Pereira
Data de Publicação: 2009
Outros Autores: Vítor Santos Costa, Rui Camacho, Nuno A. Fonseca
Tipo de documento: Livro
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: https://repositorio-aberto.up.pt/handle/10216/67148
Resumo: 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.
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spelling Visually guiding and controlling the search while mining chemical structuresCiências farmacológicas, Ciência de computadores, Ciências da computação e da informaçãoPharmacological sciences, Computer science, Computer and information sciencesIn 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.20092009-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/bookapplication/pdfhttps://repositorio-aberto.up.pt/handle/10216/67148eng10.1007/978-3-642-02481-8_158Max PereiraVítor Santos CostaRui CamachoNuno A. Fonsecainfo:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2023-11-29T15:46:19Zoai:repositorio-aberto.up.pt:10216/67148Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T00:31:44.614631Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv Visually guiding and controlling the search while mining chemical structures
title Visually guiding and controlling the search while mining chemical structures
spellingShingle Visually guiding and controlling the search while mining chemical structures
Max Pereira
Ciências farmacológicas, Ciência de computadores, Ciências da computação e da informação
Pharmacological sciences, Computer science, Computer and information sciences
title_short Visually guiding and controlling the search while mining chemical structures
title_full Visually guiding and controlling the search while mining chemical structures
title_fullStr Visually guiding and controlling the search while mining chemical structures
title_full_unstemmed Visually guiding and controlling the search while mining chemical structures
title_sort Visually guiding and controlling the search while mining chemical structures
author Max Pereira
author_facet Max Pereira
Vítor Santos Costa
Rui Camacho
Nuno A. Fonseca
author_role author
author2 Vítor Santos Costa
Rui Camacho
Nuno A. Fonseca
author2_role author
author
author
dc.contributor.author.fl_str_mv Max Pereira
Vítor Santos Costa
Rui Camacho
Nuno A. Fonseca
dc.subject.por.fl_str_mv Ciências farmacológicas, Ciência de computadores, Ciências da computação e da informação
Pharmacological sciences, Computer science, Computer and information sciences
topic Ciências farmacológicas, Ciência de computadores, Ciências da computação e da informação
Pharmacological sciences, Computer science, Computer and information sciences
description 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.
publishDate 2009
dc.date.none.fl_str_mv 2009
2009-01-01T00:00:00Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/book
format book
status_str publishedVersion
dc.identifier.uri.fl_str_mv https://repositorio-aberto.up.pt/handle/10216/67148
url https://repositorio-aberto.up.pt/handle/10216/67148
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1007/978-3-642-02481-8_158
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
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collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
repository.mail.fl_str_mv
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