Visually guiding and controlling the search while mining chemical structures
Autor(a) principal: | |
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Data de Publicação: | 2009 |
Outros Autores: | , , |
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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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) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
instname_str |
Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
instacron_str |
RCAAP |
institution |
RCAAP |
reponame_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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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1799136227143712768 |