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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 |
| DOI: | 10.1007/978-3-642-02481-8_158 |
| 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 |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| 60859.pdf | Visually Guiding and Controlling the search while Mining Chemical Structures | 229.13 kB | Adobe PDF |  View/Open |
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