QUIMIOINFORMÁTICA: UMA INTRODUÇÃO

Detalhes bibliográficos
Autor(a) principal: Alves,Vinicius M.
Data de Publicação: 2018
Outros Autores: Braga,Rodolpho C., Muratov,Eugene N., Andrade,Carolina Horta
Tipo de documento: Artigo
Idioma: por
Título da fonte: Química Nova (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422018000200202
Resumo: Cheminformatics is an interdisciplinary field between chemistry and informatics, which has evolved considerably since its inception in the 1960s. Initially, the cheminformatics community dealt primarily with practical and technical aspects of chemical structure representation, manipulation, and processing, while modern research explores a new role: the exploration and interpretation of large chemical databases and the discovery of new compounds with desired activity and safety profiles. Despite the recent release of several hallmark reviews addressing methods and application of cheminformatics written in Portuguese, so far there are no scientific articles presenting cheminformatics research to the Brazilian scientific community yet. To address this gap, we aim to introduce the field of cheminformatics to both students and researchers in a simple and didactic way by narrating important historical facts and contextualizing information within the scope of various applications.
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spelling QUIMIOINFORMÁTICA: UMA INTRODUÇÃOcheminformaticsQSARchemical similaritystructure representation, property predictionvirtual screeningCheminformatics is an interdisciplinary field between chemistry and informatics, which has evolved considerably since its inception in the 1960s. Initially, the cheminformatics community dealt primarily with practical and technical aspects of chemical structure representation, manipulation, and processing, while modern research explores a new role: the exploration and interpretation of large chemical databases and the discovery of new compounds with desired activity and safety profiles. Despite the recent release of several hallmark reviews addressing methods and application of cheminformatics written in Portuguese, so far there are no scientific articles presenting cheminformatics research to the Brazilian scientific community yet. To address this gap, we aim to introduce the field of cheminformatics to both students and researchers in a simple and didactic way by narrating important historical facts and contextualizing information within the scope of various applications.Sociedade Brasileira de Química2018-02-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422018000200202Química Nova v.41 n.2 2018reponame:Química Nova (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.21577/0100-4042.20170145info:eu-repo/semantics/openAccessAlves,Vinicius M.Braga,Rodolpho C.Muratov,Eugene N.Andrade,Carolina Hortapor2018-03-13T00:00:00Zoai:scielo:S0100-40422018000200202Revistahttps://www.scielo.br/j/qn/ONGhttps://old.scielo.br/oai/scielo-oai.phpquimicanova@sbq.org.br1678-70640100-4042opendoar:2018-03-13T00:00Química Nova (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv QUIMIOINFORMÁTICA: UMA INTRODUÇÃO
title QUIMIOINFORMÁTICA: UMA INTRODUÇÃO
spellingShingle QUIMIOINFORMÁTICA: UMA INTRODUÇÃO
Alves,Vinicius M.
cheminformatics
QSAR
chemical similarity
structure representation, property prediction
virtual screening
title_short QUIMIOINFORMÁTICA: UMA INTRODUÇÃO
title_full QUIMIOINFORMÁTICA: UMA INTRODUÇÃO
title_fullStr QUIMIOINFORMÁTICA: UMA INTRODUÇÃO
title_full_unstemmed QUIMIOINFORMÁTICA: UMA INTRODUÇÃO
title_sort QUIMIOINFORMÁTICA: UMA INTRODUÇÃO
author Alves,Vinicius M.
author_facet Alves,Vinicius M.
Braga,Rodolpho C.
Muratov,Eugene N.
Andrade,Carolina Horta
author_role author
author2 Braga,Rodolpho C.
Muratov,Eugene N.
Andrade,Carolina Horta
author2_role author
author
author
dc.contributor.author.fl_str_mv Alves,Vinicius M.
Braga,Rodolpho C.
Muratov,Eugene N.
Andrade,Carolina Horta
dc.subject.por.fl_str_mv cheminformatics
QSAR
chemical similarity
structure representation, property prediction
virtual screening
topic cheminformatics
QSAR
chemical similarity
structure representation, property prediction
virtual screening
description Cheminformatics is an interdisciplinary field between chemistry and informatics, which has evolved considerably since its inception in the 1960s. Initially, the cheminformatics community dealt primarily with practical and technical aspects of chemical structure representation, manipulation, and processing, while modern research explores a new role: the exploration and interpretation of large chemical databases and the discovery of new compounds with desired activity and safety profiles. Despite the recent release of several hallmark reviews addressing methods and application of cheminformatics written in Portuguese, so far there are no scientific articles presenting cheminformatics research to the Brazilian scientific community yet. To address this gap, we aim to introduce the field of cheminformatics to both students and researchers in a simple and didactic way by narrating important historical facts and contextualizing information within the scope of various applications.
publishDate 2018
dc.date.none.fl_str_mv 2018-02-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422018000200202
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422018000200202
dc.language.iso.fl_str_mv por
language por
dc.relation.none.fl_str_mv 10.21577/0100-4042.20170145
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Química
publisher.none.fl_str_mv Sociedade Brasileira de Química
dc.source.none.fl_str_mv Química Nova v.41 n.2 2018
reponame:Química Nova (Online)
instname:Sociedade Brasileira de Química (SBQ)
instacron:SBQ
instname_str Sociedade Brasileira de Química (SBQ)
instacron_str SBQ
institution SBQ
reponame_str Química Nova (Online)
collection Química Nova (Online)
repository.name.fl_str_mv Química Nova (Online) - Sociedade Brasileira de Química (SBQ)
repository.mail.fl_str_mv quimicanova@sbq.org.br
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