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Consensus methods for virtual screening and clustering of chemical structure databases

The main combination procedures for chemoinformatics are combinations of multiple molecular descriptors, multiple similarity measures, multiple active reference molecules (queries) and multiple clustering methods. The combination methods provide better results for virtual screening because differe...

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Main Authors: Saeed, Faisal, Salim, Naomie, Shamsir, Mohd. Shahir
Format: Article
Published: SPB Pharma Society 2015
Subjects:
QA75 Electronic computers. Computer science
Online Access:http://eprints.utm.my/id/eprint/58146/
http://jchps.com/issues/Volume%208_Issue%201/jchps%208(1)%2020%20Faisal%20saeed%20112-116.pdf
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spelling my.utm.581462022-03-06T05:03:40Z http://eprints.utm.my/id/eprint/58146/ Consensus methods for virtual screening and clustering of chemical structure databases Saeed, Faisal Salim, Naomie Shamsir, Mohd. Shahir QA75 Electronic computers. Computer science The main combination procedures for chemoinformatics are combinations of multiple molecular descriptors, multiple similarity measures, multiple active reference molecules (queries) and multiple clustering methods. The combination methods provide better results for virtual screening because different descriptors, measures, or queries can provide different sources of evidence. In this paper, we review the recent work of combination methods for chemical structure databases SPB Pharma Society 2015 Article PeerReviewed Saeed, Faisal and Salim, Naomie and Shamsir, Mohd. Shahir (2015) Consensus methods for virtual screening and clustering of chemical structure databases. Journal Of Chemical And Pharmaceutical Sciences, 8 (1). pp. 112-116. ISSN 0973-4562 http://jchps.com/issues/Volume%208_Issue%201/jchps%208(1)%2020%20Faisal%20saeed%20112-116.pdf
institution Universiti Teknologi Malaysia
building UTM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Teknologi Malaysia
content_source UTM Institutional Repository
url_provider http://eprints.utm.my/
topic QA75 Electronic computers. Computer science
spellingShingle QA75 Electronic computers. Computer science
Saeed, Faisal
Salim, Naomie
Shamsir, Mohd. Shahir
Consensus methods for virtual screening and clustering of chemical structure databases
description The main combination procedures for chemoinformatics are combinations of multiple molecular descriptors, multiple similarity measures, multiple active reference molecules (queries) and multiple clustering methods. The combination methods provide better results for virtual screening because different descriptors, measures, or queries can provide different sources of evidence. In this paper, we review the recent work of combination methods for chemical structure databases
format Article
author Saeed, Faisal
Salim, Naomie
Shamsir, Mohd. Shahir
author_facet Saeed, Faisal
Salim, Naomie
Shamsir, Mohd. Shahir
author_sort Saeed, Faisal
title Consensus methods for virtual screening and clustering of chemical structure databases
title_short Consensus methods for virtual screening and clustering of chemical structure databases
title_full Consensus methods for virtual screening and clustering of chemical structure databases
title_fullStr Consensus methods for virtual screening and clustering of chemical structure databases
title_full_unstemmed Consensus methods for virtual screening and clustering of chemical structure databases
title_sort consensus methods for virtual screening and clustering of chemical structure databases
publisher SPB Pharma Society
publishDate 2015
url http://eprints.utm.my/id/eprint/58146/
http://jchps.com/issues/Volume%208_Issue%201/jchps%208(1)%2020%20Faisal%20saeed%20112-116.pdf
_version_ 1728051329739259904
score 13.18916

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