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https://hdl.handle.net/10216/67162
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DC Field | Value | Language |
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dc.creator | Vítor Santos Costa | |
dc.creator | Nuno A. Fonseca | |
dc.creator | Rui Camacho | |
dc.date.accessioned | 2019-02-02T12:26:33Z | - |
dc.date.available | 2019-02-02T12:26:33Z | - |
dc.date.issued | 2008 | |
dc.identifier.other | sigarra:70445 | |
dc.identifier.uri | https://repositorio-aberto.up.pt/handle/10216/67162 | - |
dc.description.abstract | One 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.iso | eng | |
dc.relation.ispartof | 2008 IEEE INTERNATIONAL CONFERENCE ON BIOINFORMATICS AND BIOMEDICINE, PROCEEDINGS | |
dc.rights | openAccess | |
dc.rights.uri | https://creativecommons.org/licenses/by-nc/4.0/ | |
dc.subject | Engenharia do conhecimento, Tecnologia farmacêutica, Matemática | |
dc.subject | Knowledge engineering, Pharmaceutical technology, Mathematics | |
dc.title | LogCHEM: interactive discriminative mining of chemical structure | |
dc.type | Artigo em Livro de Atas de Conferência Internacional | |
dc.contributor.uporto | Faculdade de Engenharia | |
dc.contributor.uporto | Faculdade de Ciências | |
dc.identifier.doi | 10.1109/bibm.2008.45 | |
dc.identifier.authenticus | P-004-5AB | |
dc.subject.fos | Ciências exactas e naturais::Matemática | |
dc.subject.fos | Natural sciences::Mathematics | |
Appears in Collections: | FCUP - Artigo em Livro de Atas de Conferência Internacional FEUP - Artigo em Livro de Atas de Conferência Internacional |
Files in This Item:
File | Description | Size | Format | |
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70445.pdf | LogCHEM: Interactive Discriminative Mining of Chemical Structure | 226.38 kB | Adobe PDF | View/Open |
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