Bayesian inference network for molecular similarity searching using 2D fingerprints and multiple reference structures

Bayesian inference network for molecular similarity searching using 2D fingerprints and multiple reference structures

2D fingerprint based similarity searching using a single bioactive reference is the most popular and effective virtual screening tool. In our last paper, we have introduced a novel method for similarity searching using Bayesian inference network (BIN). In this study, we have compared BIN with other...

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Main Authors: Abdo, Ammar, Salim, Naomie
Format: Article
Language:English
Published: Penerbit UTM Press 2008
Subjects:
QA75 Electronic computers. Computer science
Online Access:http://eprints.utm.my/id/eprint/10690/1/AmmarAbdo2008_bayesianInferenceNetworkforMolecularSimilarity.pdf
http://eprints.utm.my/id/eprint/10690/
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Institution: Universiti Teknologi Malaysia
Language: English
id my.utm.10690
record_format eprints
spelling my.utm.106902017-11-01T04:17:21Z http://eprints.utm.my/id/eprint/10690/ Bayesian inference network for molecular similarity searching using 2D fingerprints and multiple reference structures Abdo, Ammar Salim, Naomie QA75 Electronic computers. Computer science 2D fingerprint based similarity searching using a single bioactive reference is the most popular and effective virtual screening tool. In our last paper, we have introduced a novel method for similarity searching using Bayesian inference network (BIN). In this study, we have compared BIN with other similarity searching methods when multiple bioactive reference molecules are available. Three different 2D fingerprints were used in combination with data fusion and nearest neighbor approaches as search tools and also as descriptors for BIN. Our empirical results show that the BIN consistently outperformed all conventional approaches such as data fusion and nearest neighbor, regardless of the fingeyrints that were tested. Penerbit UTM Press 2008-12 Article PeerReviewed application/pdf en http://eprints.utm.my/id/eprint/10690/1/AmmarAbdo2008_bayesianInferenceNetworkforMolecularSimilarity.pdf Abdo, Ammar and Salim, Naomie (2008) Bayesian inference network for molecular similarity searching using 2D fingerprints and multiple reference structures. Jurnal Teknologi Maklumat, 20 (3). pp. 1-13. ISSN 0128-3790
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/
language English
topic QA75 Electronic computers. Computer science
spellingShingle QA75 Electronic computers. Computer science
Abdo, Ammar
Salim, Naomie
Bayesian inference network for molecular similarity searching using 2D fingerprints and multiple reference structures
description 2D fingerprint based similarity searching using a single bioactive reference is the most popular and effective virtual screening tool. In our last paper, we have introduced a novel method for similarity searching using Bayesian inference network (BIN). In this study, we have compared BIN with other similarity searching methods when multiple bioactive reference molecules are available. Three different 2D fingerprints were used in combination with data fusion and nearest neighbor approaches as search tools and also as descriptors for BIN. Our empirical results show that the BIN consistently outperformed all conventional approaches such as data fusion and nearest neighbor, regardless of the fingeyrints that were tested.
format Article
author Abdo, Ammar
Salim, Naomie
author_facet Abdo, Ammar
Salim, Naomie
author_sort Abdo, Ammar
title Bayesian inference network for molecular similarity searching using 2D fingerprints and multiple reference structures
title_short Bayesian inference network for molecular similarity searching using 2D fingerprints and multiple reference structures
title_full Bayesian inference network for molecular similarity searching using 2D fingerprints and multiple reference structures
title_fullStr Bayesian inference network for molecular similarity searching using 2D fingerprints and multiple reference structures
title_full_unstemmed Bayesian inference network for molecular similarity searching using 2D fingerprints and multiple reference structures
title_sort bayesian inference network for molecular similarity searching using 2d fingerprints and multiple reference structures
publisher Penerbit UTM Press
publishDate 2008
url http://eprints.utm.my/id/eprint/10690/1/AmmarAbdo2008_bayesianInferenceNetworkforMolecularSimilarity.pdf
http://eprints.utm.my/id/eprint/10690/
_version_ 1643645469655564288

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