BioPPSy: An Open-Source Platform for QSAR/QSPR Analysis
Publication Date
November 10, 2016
Authors
Marta Enciso, Nastaran Meftahi, Michael L. Walker & Brian J. Smith
Volume
11
Issue
11
Pages
e0166298
DOI
http://doi.org/10.1371/journal.pone.0166298
Publisher URL
http://journals.plos.org/plosone/article?id=10.1371%2Fjournal.pone.0166298
Scopus
84994399259
Mendeley
http://www.mendeley.com/research/bioppsy-opensource-platform-qsar-qspr-analysis
Events
Loading … Spinner

Mendeley | Further Information

{"title"=>"BioPPSy: An open-source platform for QSAR/ QSPR analysis", "type"=>"journal", "authors"=>[{"first_name"=>"Marta", "last_name"=>"Enciso", "scopus_author_id"=>"26640978700"}, {"first_name"=>"Nastaran", "last_name"=>"Meftahi", "scopus_author_id"=>"55821665100"}, {"first_name"=>"Michael L.", "last_name"=>"Walker", "scopus_author_id"=>"55461477000"}, {"first_name"=>"Brian J.", "last_name"=>"Smith", "scopus_author_id"=>"57200588114"}], "year"=>2016, "source"=>"PLoS ONE", "identifiers"=>{"scopus"=>"2-s2.0-84994399259", "sgr"=>"84994399259", "doi"=>"10.1371/journal.pone.0166298", "issn"=>"19326203", "pui"=>"613147247"}, "id"=>"11345be1-7fe8-3ebe-b8e7-25d258e8c6ca", "abstract"=>"© 2016 Enciso et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. The reliability of quantitative structure-property relationship (QSPR) and quantitative structure-activity relationship (QSAR) models is often difficult to assess due to the problems of accessing the tools and data used to build the models. We present here BioPPSy, which aims to fill this gap by providing an easy-to-use open-source software platform. We demonstrate the program capabilities by calculating three key properties used in drug discovery, aqueous solubility, Caco-2 cell permeability and blood-brain barrier permeability. A comparison is made with a number of previously reported methods, taken from the literature, for each property. The software, including source code, current models and databases, is available from https://sourceforge.net/projects/bioppsy/.", "link"=>"http://www.mendeley.com/research/bioppsy-opensource-platform-qsar-qspr-analysis", "reader_count"=>3, "reader_count_by_academic_status"=>{"Student > Master"=>2, "Professor"=>1}, "reader_count_by_user_role"=>{"Student > Master"=>2, "Professor"=>1}, "reader_count_by_subject_area"=>{"Chemistry"=>2, "Computer Science"=>1}, "reader_count_by_subdiscipline"=>{"Chemistry"=>{"Chemistry"=>2}, "Computer Science"=>{"Computer Science"=>1}}, "group_count"=>0}

Scopus | Further Information

{"@_fa"=>"true", "link"=>[{"@_fa"=>"true", "@ref"=>"self", "@href"=>"https://api.elsevier.com/content/abstract/scopus_id/84994399259"}, {"@_fa"=>"true", "@ref"=>"author-affiliation", "@href"=>"https://api.elsevier.com/content/abstract/scopus_id/84994399259?field=author,affiliation"}, {"@_fa"=>"true", "@ref"=>"scopus", "@href"=>"https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84994399259&origin=inward"}, {"@_fa"=>"true", "@ref"=>"scopus-citedby", "@href"=>"https://www.scopus.com/inward/citedby.uri?partnerID=HzOxMe3b&scp=84994399259&origin=inward"}], "prism:url"=>"https://api.elsevier.com/content/abstract/scopus_id/84994399259", "dc:identifier"=>"SCOPUS_ID:84994399259", "eid"=>"2-s2.0-84994399259", "dc:title"=>"BioPPSy: An open-source platform for QSAR/ QSPR analysis", "dc:creator"=>"Enciso M.", "prism:publicationName"=>"PLoS ONE", "prism:eIssn"=>"19326203", "prism:volume"=>"11", "prism:issueIdentifier"=>"11", "prism:pageRange"=>nil, "prism:coverDate"=>"2016-11-01", "prism:coverDisplayDate"=>"November 2016", "prism:doi"=>"10.1371/journal.pone.0166298", "citedby-count"=>"1", "affiliation"=>[{"@_fa"=>"true", "affilname"=>"La Trobe University", "affiliation-city"=>"Melbourne", "affiliation-country"=>"Australia"}], "pubmed-id"=>"27832156", "prism:aggregationType"=>"Journal", "subtype"=>"ar", "subtypeDescription"=>"Article", "article-number"=>"e0166298", "source-id"=>"10600153309", "openaccess"=>"1", "openaccessFlag"=>true}

Counter

  • {"month"=>"11", "year"=>"2016", "pdf_views"=>"31", "xml_views"=>"0", "html_views"=>"204"}
  • {"month"=>"12", "year"=>"2016", "pdf_views"=>"35", "xml_views"=>"1", "html_views"=>"60"}
  • {"month"=>"1", "year"=>"2017", "pdf_views"=>"27", "xml_views"=>"2", "html_views"=>"49"}
  • {"month"=>"2", "year"=>"2017", "pdf_views"=>"11", "xml_views"=>"1", "html_views"=>"54"}
  • {"month"=>"3", "year"=>"2017", "pdf_views"=>"26", "xml_views"=>"3", "html_views"=>"48"}
  • {"month"=>"4", "year"=>"2017", "pdf_views"=>"16", "xml_views"=>"0", "html_views"=>"66"}
  • {"month"=>"5", "year"=>"2017", "pdf_views"=>"20", "xml_views"=>"0", "html_views"=>"69"}
  • {"month"=>"6", "year"=>"2017", "pdf_views"=>"7", "xml_views"=>"0", "html_views"=>"60"}
  • {"month"=>"7", "year"=>"2017", "pdf_views"=>"16", "xml_views"=>"3", "html_views"=>"46"}
  • {"month"=>"8", "year"=>"2017", "pdf_views"=>"12", "xml_views"=>"1", "html_views"=>"50"}
  • {"month"=>"9", "year"=>"2017", "pdf_views"=>"8", "xml_views"=>"2", "html_views"=>"45"}
  • {"month"=>"10", "year"=>"2017", "pdf_views"=>"17", "xml_views"=>"1", "html_views"=>"63"}
  • {"month"=>"11", "year"=>"2017", "pdf_views"=>"11", "xml_views"=>"0", "html_views"=>"111"}
  • {"month"=>"12", "year"=>"2017", "pdf_views"=>"5", "xml_views"=>"1", "html_views"=>"190"}
  • {"month"=>"1", "year"=>"2018", "pdf_views"=>"14", "xml_views"=>"0", "html_views"=>"38"}
  • {"month"=>"2", "year"=>"2018", "pdf_views"=>"8", "xml_views"=>"0", "html_views"=>"19"}
  • {"month"=>"3", "year"=>"2018", "pdf_views"=>"5", "xml_views"=>"2", "html_views"=>"36"}
  • {"month"=>"4", "year"=>"2018", "pdf_views"=>"13", "xml_views"=>"0", "html_views"=>"30"}
  • {"month"=>"5", "year"=>"2018", "pdf_views"=>"5", "xml_views"=>"0", "html_views"=>"20"}
  • {"month"=>"6", "year"=>"2018", "pdf_views"=>"10", "xml_views"=>"3", "html_views"=>"36"}
  • {"month"=>"7", "year"=>"2018", "pdf_views"=>"24", "xml_views"=>"4", "html_views"=>"45"}
  • {"month"=>"8", "year"=>"2018", "pdf_views"=>"10", "xml_views"=>"1", "html_views"=>"41"}
  • {"month"=>"9", "year"=>"2018", "pdf_views"=>"18", "xml_views"=>"0", "html_views"=>"88"}
  • {"month"=>"10", "year"=>"2018", "pdf_views"=>"11", "xml_views"=>"1", "html_views"=>"50"}
  • {"month"=>"11", "year"=>"2018", "pdf_views"=>"11", "xml_views"=>"0", "html_views"=>"27"}

PMC Usage Stats

  • {"unique-ip"=>"3", "full-text"=>"3", "pdf"=>"1", "abstract"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2016", "month"=>"12"}
  • {"unique-ip"=>"11", "full-text"=>"10", "pdf"=>"7", "abstract"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2017", "month"=>"1"}
  • {"unique-ip"=>"7", "full-text"=>"6", "pdf"=>"3", "abstract"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2017", "month"=>"2"}
  • {"unique-ip"=>"3", "full-text"=>"2", "pdf"=>"4", "abstract"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2017", "month"=>"3"}
  • {"unique-ip"=>"3", "full-text"=>"4", "pdf"=>"2", "abstract"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"2", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2017", "month"=>"4"}
  • {"unique-ip"=>"5", "full-text"=>"4", "pdf"=>"1", "abstract"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2017", "month"=>"5"}
  • {"unique-ip"=>"4", "full-text"=>"4", "pdf"=>"2", "abstract"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2017", "month"=>"6"}
  • {"unique-ip"=>"9", "full-text"=>"6", "pdf"=>"4", "abstract"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"1", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2017", "month"=>"7"}
  • {"unique-ip"=>"8", "full-text"=>"7", "pdf"=>"2", "abstract"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2017", "month"=>"8"}
  • {"unique-ip"=>"16", "full-text"=>"14", "pdf"=>"2", "abstract"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"1", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2017", "month"=>"9"}
  • {"unique-ip"=>"11", "full-text"=>"10", "pdf"=>"2", "abstract"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2017", "month"=>"10"}
  • {"unique-ip"=>"12", "full-text"=>"12", "pdf"=>"5", "abstract"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"2", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2017", "month"=>"11"}
  • {"unique-ip"=>"8", "full-text"=>"9", "pdf"=>"3", "abstract"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"3", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2017", "month"=>"12"}
  • {"unique-ip"=>"11", "full-text"=>"14", "pdf"=>"1", "abstract"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"3", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2018", "month"=>"1"}
  • {"unique-ip"=>"17", "full-text"=>"18", "pdf"=>"5", "abstract"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"5", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2018", "month"=>"3"}
Loading … Spinner
There are currently no alerts