Sobre o uso de métodos quimiométricos em química combinatória

Detalhes bibliográficos
Autor(a) principal: Leitão,Andrei
Data de Publicação: 2000
Outros Autores: Montanari,Carlos A., Donnici,Claudio L.
Tipo de documento: Artigo
Idioma: por
Título da fonte: Química Nova (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422000000200007
Resumo: Combinatorial chemistry has emerged as a tool to circumvent a major problem of pharmaceutical industries to discover new lead compounds. A rapid and massive evaluation of a myriad of newly synthesised compounds can be carried out. Combinatorial synthesis leads to high throughput screening en masse towards another myriad of biological targets. The design of a set of compounds based upon combinatorial chemistry may be envisaged by using of QSPR-SIMCA and QSAR-SIMCA as tools for classification purposes. This work deals with the definition and establishment of a spanned substituent space (SSS) that reduces the analogue numbers with no exclusion of global content. The chemical diversity may be set properly within a specified pharmacological field. This allows a better use of its potentiality without loosing information.
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spelling Sobre o uso de métodos quimiométricos em química combinatóriacombinatorial chemistrychemical diversityQSPR-SIMCACombinatorial chemistry has emerged as a tool to circumvent a major problem of pharmaceutical industries to discover new lead compounds. A rapid and massive evaluation of a myriad of newly synthesised compounds can be carried out. Combinatorial synthesis leads to high throughput screening en masse towards another myriad of biological targets. The design of a set of compounds based upon combinatorial chemistry may be envisaged by using of QSPR-SIMCA and QSAR-SIMCA as tools for classification purposes. This work deals with the definition and establishment of a spanned substituent space (SSS) that reduces the analogue numbers with no exclusion of global content. The chemical diversity may be set properly within a specified pharmacological field. This allows a better use of its potentiality without loosing information.Sociedade Brasileira de Química2000-04-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422000000200007Química Nova v.23 n.2 2000reponame:Química Nova (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.1590/S0100-40422000000200007info:eu-repo/semantics/openAccessLeitão,AndreiMontanari,Carlos A.Donnici,Claudio L.por2000-10-14T00:00:00Zoai:scielo:S0100-40422000000200007Revistahttps://www.scielo.br/j/qn/ONGhttps://old.scielo.br/oai/scielo-oai.phpquimicanova@sbq.org.br1678-70640100-4042opendoar:2000-10-14T00:00Química Nova (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv Sobre o uso de métodos quimiométricos em química combinatória
title Sobre o uso de métodos quimiométricos em química combinatória
spellingShingle Sobre o uso de métodos quimiométricos em química combinatória
Leitão,Andrei
combinatorial chemistry
chemical diversity
QSPR-SIMCA
title_short Sobre o uso de métodos quimiométricos em química combinatória
title_full Sobre o uso de métodos quimiométricos em química combinatória
title_fullStr Sobre o uso de métodos quimiométricos em química combinatória
title_full_unstemmed Sobre o uso de métodos quimiométricos em química combinatória
title_sort Sobre o uso de métodos quimiométricos em química combinatória
author Leitão,Andrei
author_facet Leitão,Andrei
Montanari,Carlos A.
Donnici,Claudio L.
author_role author
author2 Montanari,Carlos A.
Donnici,Claudio L.
author2_role author
author
dc.contributor.author.fl_str_mv Leitão,Andrei
Montanari,Carlos A.
Donnici,Claudio L.
dc.subject.por.fl_str_mv combinatorial chemistry
chemical diversity
QSPR-SIMCA
topic combinatorial chemistry
chemical diversity
QSPR-SIMCA
description Combinatorial chemistry has emerged as a tool to circumvent a major problem of pharmaceutical industries to discover new lead compounds. A rapid and massive evaluation of a myriad of newly synthesised compounds can be carried out. Combinatorial synthesis leads to high throughput screening en masse towards another myriad of biological targets. The design of a set of compounds based upon combinatorial chemistry may be envisaged by using of QSPR-SIMCA and QSAR-SIMCA as tools for classification purposes. This work deals with the definition and establishment of a spanned substituent space (SSS) that reduces the analogue numbers with no exclusion of global content. The chemical diversity may be set properly within a specified pharmacological field. This allows a better use of its potentiality without loosing information.
publishDate 2000
dc.date.none.fl_str_mv 2000-04-01
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=S0100-40422000000200007
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422000000200007
dc.language.iso.fl_str_mv por
language por
dc.relation.none.fl_str_mv 10.1590/S0100-40422000000200007
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.23 n.2 2000
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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