Please use this identifier to cite or link to this item: https://hdl.handle.net/10216/67162
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dc.creatorVítor Santos Costa
dc.creatorNuno A. Fonseca
dc.creatorRui Camacho
dc.date.accessioned2019-02-02T12:26:33Z-
dc.date.available2019-02-02T12:26:33Z-
dc.date.issued2008
dc.identifier.othersigarra:70445
dc.identifier.urihttps://repositorio-aberto.up.pt/handle/10216/67162-
dc.description.abstractOne of the most well known successes of Inductive Logic Programming (ILP) is on Structure-Activity Relationship (SAR) problems. In such problems, ILP has proved several times to be capable of constructing expert comprehensible models that hell) to explain the activity of chemical compounds based on their structure and properties. However, despite its successes on SAR problems, ILP has severe scalability problems that prevent its application oil larger datasets. In this paper we present LogCHEM, an ILP based tool for discriminative interactive mining of chemical fragments. LogCHEM tackles ILP's scalability issues in the context of SAR applications. We show that LogCHEM benefits from the flexibility of ILP both by its ability to quickly extend the original mining model, and by its ability, to interface with external tools. Furthermore, We demonstrate that LogCHEM can be used to mine effectively large chemoinformatics datasets, namely, several datasets from EPA's DSSTox database and on a dataset based on the DTP AIDS anti-viral screen.
dc.language.isoeng
dc.relation.ispartof2008 IEEE INTERNATIONAL CONFERENCE ON BIOINFORMATICS AND BIOMEDICINE, PROCEEDINGS
dc.rightsopenAccess
dc.rights.urihttps://creativecommons.org/licenses/by-nc/4.0/
dc.subjectEngenharia do conhecimento, Tecnologia farmacêutica, Matemática
dc.subjectKnowledge engineering, Pharmaceutical technology, Mathematics
dc.titleLogCHEM: interactive discriminative mining of chemical structure
dc.typeArtigo em Livro de Atas de Conferência Internacional
dc.contributor.uportoFaculdade de Engenharia
dc.contributor.uportoFaculdade de Ciências
dc.identifier.doi10.1109/bibm.2008.45
dc.identifier.authenticusP-004-5AB
dc.subject.fosCiências exactas e naturais::Matemática
dc.subject.fosNatural sciences::Mathematics
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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