Sobre o uso de métodos quimiométricos em química combinatória
Autor(a) principal: | |
---|---|
Data de Publicação: | 2000 |
Outros Autores: | , |
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. |
id |
SBQ-3_7485369d5704f381e7a4566ac6e9a04c |
---|---|
oai_identifier_str |
oai:scielo:S0100-40422000000200007 |
network_acronym_str |
SBQ-3 |
network_name_str |
Química Nova (Online) |
repository_id_str |
|
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 |
_version_ |
1750318101568684032 |