{"id":"https://openalex.org/W3005960521","doi":"https://doi.org/10.1093/bioinformatics/btaa094","title":"BionoiNet: ligand-binding site classification with off-the-shelf deep neural network","display_name":"BionoiNet: ligand-binding site classification with off-the-shelf deep neural network","publication_year":2020,"publication_date":"2020-02-05","ids":{"openalex":"https://openalex.org/W3005960521","doi":"https://doi.org/10.1093/bioinformatics/btaa094","mag":"3005960521","pmid":"https://pubmed.ncbi.nlm.nih.gov/32053156"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btaa094","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btaa094","pdf_url":null,"source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://digitalcommons.lsu.edu/biosci_pubs/610","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5113228640","display_name":"Wentao Shi","orcid":"https://orcid.org/0009-0007-7970-8712"},"institutions":[{"id":"https://openalex.org/I121820613","display_name":"Louisiana State University","ror":"https://ror.org/05ect4e57","country_code":"US","type":"education","lineage":["https://openalex.org/I121820613"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Wentao Shi","raw_affiliation_strings":["Division of Electrical and Computer Engineering, Louisiana State University , Baton Rouge, LA 70803, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Division of Electrical and Computer Engineering, Louisiana State University , Baton Rouge, LA 70803, USA","institution_ids":["https://openalex.org/I121820613"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061732129","display_name":"Jeffrey Lemoine","orcid":"https://orcid.org/0000-0002-9632-8419"},"institutions":[{"id":"https://openalex.org/I121820613","display_name":"Louisiana State University","ror":"https://ror.org/05ect4e57","country_code":"US","type":"education","lineage":["https://openalex.org/I121820613"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jeffrey M Lemoine","raw_affiliation_strings":["Department of Biological Sciences, Louisiana State University , Baton Rouge, LA 70803, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biological Sciences, Louisiana State University , Baton Rouge, LA 70803, USA","institution_ids":["https://openalex.org/I121820613"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053574760","display_name":"Abd-El-Monsif Shawky","orcid":"https://orcid.org/0000-0003-2043-2727"},"institutions":[{"id":"https://openalex.org/I121820613","display_name":"Louisiana State University","ror":"https://ror.org/05ect4e57","country_code":"US","type":"education","lineage":["https://openalex.org/I121820613"]},{"id":"https://openalex.org/I4210131959","display_name":"National Research Centre","ror":"https://ror.org/02n85j827","country_code":"EG","type":"facility","lineage":["https://openalex.org/I4210131959"]}],"countries":["EG","US"],"is_corresponding":false,"raw_author_name":"Abd-El-Monsif A Shawky","raw_affiliation_strings":["Department of Biological Sciences, Louisiana State University , Baton Rouge, LA 70803, USA","Department of Cell Biology, National Research Centre , 12622 Giza, Egypt"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biological Sciences, Louisiana State University , Baton Rouge, LA 70803, USA","institution_ids":["https://openalex.org/I121820613"]},{"raw_affiliation_string":"Department of Cell Biology, National Research Centre , 12622 Giza, Egypt","institution_ids":["https://openalex.org/I4210131959"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5017574364","display_name":"Manali Singha","orcid":"https://orcid.org/0000-0002-8049-9643"},"institutions":[{"id":"https://openalex.org/I121820613","display_name":"Louisiana State University","ror":"https://ror.org/05ect4e57","country_code":"US","type":"education","lineage":["https://openalex.org/I121820613"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Manali Singha","raw_affiliation_strings":["Department of Biological Sciences, Louisiana State University , Baton Rouge, LA 70803, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biological Sciences, Louisiana State University , Baton Rouge, LA 70803, USA","institution_ids":["https://openalex.org/I121820613"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5108268424","display_name":"Limeng Pu","orcid":"https://orcid.org/0009-0002-1744-9325"},"institutions":[{"id":"https://openalex.org/I121820613","display_name":"Louisiana State University","ror":"https://ror.org/05ect4e57","country_code":"US","type":"education","lineage":["https://openalex.org/I121820613"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Limeng Pu","raw_affiliation_strings":["Center for Computation & Technology, Louisiana State University , Baton Rouge, LA 70803, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center for Computation & Technology, Louisiana State University , Baton Rouge, LA 70803, USA","institution_ids":["https://openalex.org/I121820613"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101028702","display_name":"Shuangyan Yang","orcid":null},"institutions":[{"id":"https://openalex.org/I121820613","display_name":"Louisiana State University","ror":"https://ror.org/05ect4e57","country_code":"US","type":"education","lineage":["https://openalex.org/I121820613"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Shuangyan Yang","raw_affiliation_strings":["Division of Electrical and Computer Engineering, Louisiana State University , Baton Rouge, LA 70803, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Division of Electrical and Computer Engineering, Louisiana State University , Baton Rouge, LA 70803, USA","institution_ids":["https://openalex.org/I121820613"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057117526","display_name":"J. Ramanujam","orcid":"https://orcid.org/0000-0002-4349-1327"},"institutions":[{"id":"https://openalex.org/I121820613","display_name":"Louisiana State University","ror":"https://ror.org/05ect4e57","country_code":"US","type":"education","lineage":["https://openalex.org/I121820613"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"J Ramanujam","raw_affiliation_strings":["Center for Computation & Technology, Louisiana State University , Baton Rouge, LA 70803, USA","Division of Electrical and Computer Engineering, Louisiana State University , Baton Rouge, LA 70803, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center for Computation & Technology, Louisiana State University , Baton Rouge, LA 70803, USA","institution_ids":["https://openalex.org/I121820613"]},{"raw_affiliation_string":"Division of Electrical and Computer Engineering, Louisiana State University , Baton Rouge, LA 70803, USA","institution_ids":["https://openalex.org/I121820613"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5033579800","display_name":"Micha\u0142 Bryli\u0144ski","orcid":"https://orcid.org/0000-0002-6204-2869"},"institutions":[{"id":"https://openalex.org/I121820613","display_name":"Louisiana State University","ror":"https://ror.org/05ect4e57","country_code":"US","type":"education","lineage":["https://openalex.org/I121820613"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Michal Brylinski","raw_affiliation_strings":["Center for Computation & Technology, Louisiana State University , Baton Rouge, LA 70803, USA","Department of Biological Sciences, Louisiana State University , Baton Rouge, LA 70803, USA"],"raw_orcid":"https://orcid.org/0000-0002-6204-2869","affiliations":[{"raw_affiliation_string":"Center for Computation & Technology, Louisiana State University , Baton Rouge, LA 70803, USA","institution_ids":["https://openalex.org/I121820613"]},{"raw_affiliation_string":"Department of Biological Sciences, Louisiana State University , Baton Rouge, LA 70803, USA","institution_ids":["https://openalex.org/I121820613"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5033579800"],"corresponding_institution_ids":["https://openalex.org/I121820613"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":null,"fwci":0.8335,"has_fulltext":true,"cited_by_count":15,"citation_normalized_percentile":{"value":0.70677536,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":94,"max":97},"biblio":{"volume":"36","issue":"10","first_page":"3077","last_page":"3083"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12254","display_name":"Machine Learning in Bioinformatics","score":0.2615000009536743,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T12254","display_name":"Machine Learning in Bioinformatics","score":0.2615000009536743,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.19779999554157257,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.15710000693798065,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7361730337142944},{"id":"https://openalex.org/keywords/deep-learning","display_name":"Deep learning","score":0.6327522993087769},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.6071018576622009},{"id":"https://openalex.org/keywords/convolutional-neural-network","display_name":"Convolutional neural network","score":0.557477593421936},{"id":"https://openalex.org/keywords/annotation","display_name":"Annotation","score":0.5504419207572937},{"id":"https://openalex.org/keywords/classifier","display_name":"Classifier (UML)","score":0.5396793484687805},{"id":"https://openalex.org/keywords/source-code","display_name":"Source code","score":0.5370005965232849},{"id":"https://openalex.org/keywords/python","display_name":"Python (programming language)","score":0.5189982652664185},{"id":"https://openalex.org/keywords/autoencoder","display_name":"Autoencoder","score":0.4368554651737213},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.4356803894042969},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.38461440801620483},{"id":"https://openalex.org/keywords/pattern-recognition","display_name":"Pattern recognition (psychology)","score":0.38158655166625977},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.3565026819705963},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.13151335716247559}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7361730337142944},{"id":"https://openalex.org/C108583219","wikidata":"https://www.wikidata.org/wiki/Q197536","display_name":"Deep learning","level":2,"score":0.6327522993087769},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.6071018576622009},{"id":"https://openalex.org/C81363708","wikidata":"https://www.wikidata.org/wiki/Q17084460","display_name":"Convolutional neural network","level":2,"score":0.557477593421936},{"id":"https://openalex.org/C2776321320","wikidata":"https://www.wikidata.org/wiki/Q857525","display_name":"Annotation","level":2,"score":0.5504419207572937},{"id":"https://openalex.org/C95623464","wikidata":"https://www.wikidata.org/wiki/Q1096149","display_name":"Classifier (UML)","level":2,"score":0.5396793484687805},{"id":"https://openalex.org/C43126263","wikidata":"https://www.wikidata.org/wiki/Q128751","display_name":"Source code","level":2,"score":0.5370005965232849},{"id":"https://openalex.org/C519991488","wikidata":"https://www.wikidata.org/wiki/Q28865","display_name":"Python (programming language)","level":2,"score":0.5189982652664185},{"id":"https://openalex.org/C101738243","wikidata":"https://www.wikidata.org/wiki/Q786435","display_name":"Autoencoder","level":3,"score":0.4368554651737213},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.4356803894042969},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.38461440801620483},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.38158655166625977},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.3565026819705963},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.13151335716247559}],"mesh":[{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":7,"locations":[{"id":"doi:10.1093/bioinformatics/btaa094","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btaa094","pdf_url":null,"source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},{"id":"pmid:32053156","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/32053156","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics (Oxford, England)","raw_type":null},{"id":"pmh:oai:digitalcommons.lsu.edu:biosci_pubs-1609","is_oa":true,"landing_page_url":"https://digitalcommons.lsu.edu/biosci_pubs/610","pdf_url":"https://digitalcommons.lsu.edu/biosci_pubs/610","source":{"id":"https://openalex.org/S4210169993","display_name":"Civil War Book Review","issn_l":"1528-6592","issn":["1528-6592"],"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/P4310315936","host_organization_name":"Louisiana State University","host_organization_lineage":["https://openalex.org/P4310315936"],"host_organization_lineage_names":["Louisiana State University"],"type":"journal"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Faculty Publications","raw_type":"text"},{"id":"pmh:oai:digitalcommons.lsu.edu:eecs_pubs-2436","is_oa":true,"landing_page_url":"https://digitalcommons.lsu.edu/eecs_pubs/1434","pdf_url":null,"source":{"id":"https://openalex.org/S4210169993","display_name":"Civil War Book Review","issn_l":"1528-6592","issn":["1528-6592"],"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/P4310315936","host_organization_name":"Louisiana State University","host_organization_lineage":["https://openalex.org/P4310315936"],"host_organization_lineage_names":["Louisiana State University"],"type":"journal"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Faculty Publications","raw_type":"text"},{"id":"pmh:oai:pubmedcentral.nih.gov:7214032","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/7214032","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Bioinformatics","raw_type":"Text"},{"id":"pmh:oai:repository.lsu.edu:biosci_pubs-1609","is_oa":true,"landing_page_url":"https://repository.lsu.edu/biosci_pubs/610","pdf_url":null,"source":{"id":"https://openalex.org/S4210169993","display_name":"Civil War Book Review","issn_l":"1528-6592","issn":["1528-6592"],"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/P4310315936","host_organization_name":"Louisiana State University","host_organization_lineage":["https://openalex.org/P4310315936"],"host_organization_lineage_names":["Louisiana State University"],"type":"journal"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Faculty Publications","raw_type":"text"},{"id":"pmh:oai:repository.lsu.edu:eecs_pubs-2436","is_oa":true,"landing_page_url":"https://repository.lsu.edu/eecs_pubs/1434","pdf_url":null,"source":{"id":"https://openalex.org/S4210169993","display_name":"Civil War Book Review","issn_l":"1528-6592","issn":["1528-6592"],"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/P4310315936","host_organization_name":"Louisiana State University","host_organization_lineage":["https://openalex.org/P4310315936"],"host_organization_lineage_names":["Louisiana State University"],"type":"journal"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Faculty Publications","raw_type":"text"}],"best_oa_location":{"id":"pmh:oai:digitalcommons.lsu.edu:biosci_pubs-1609","is_oa":true,"landing_page_url":"https://digitalcommons.lsu.edu/biosci_pubs/610","pdf_url":"https://digitalcommons.lsu.edu/biosci_pubs/610","source":{"id":"https://openalex.org/S4210169993","display_name":"Civil War Book Review","issn_l":"1528-6592","issn":["1528-6592"],"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/P4310315936","host_organization_name":"Louisiana State University","host_organization_lineage":["https://openalex.org/P4310315936"],"host_organization_lineage_names":["Louisiana State University"],"type":"journal"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Faculty Publications","raw_type":"text"},"sustainable_development_goals":[{"display_name":"Partnerships for the goals","id":"https://metadata.un.org/sdg/17","score":0.47999998927116394}],"awards":[{"id":"https://openalex.org/G4836655267","display_name":null,"funder_award_id":"CCF-1619303","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G5075043759","display_name":null,"funder_award_id":"LEQSF(2016-19)-RD-B-03","funder_id":"https://openalex.org/F4320309392","funder_display_name":"Louisiana Board of Regents"},{"id":"https://openalex.org/G5490367575","display_name":null,"funder_award_id":"R35GM119524","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320309392","display_name":"Louisiana Board of Regents","ror":"https://ror.org/00jv89z46"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"}],"has_content":{"grobid_xml":false,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3005960521.pdf"},"referenced_works_count":49,"referenced_works":["https://openalex.org/W1501531009","https://openalex.org/W1686810756","https://openalex.org/W1849277567","https://openalex.org/W1967005434","https://openalex.org/W1969909141","https://openalex.org/W1975304761","https://openalex.org/W1982309045","https://openalex.org/W2019971393","https://openalex.org/W2055043387","https://openalex.org/W2060886672","https://openalex.org/W2081969998","https://openalex.org/W2090649877","https://openalex.org/W2091950883","https://openalex.org/W2095705004","https://openalex.org/W2097117768","https://openalex.org/W2112796928","https://openalex.org/W2116211618","https://openalex.org/W2117539524","https://openalex.org/W2118023920","https://openalex.org/W2125079066","https://openalex.org/W2134967712","https://openalex.org/W2136655611","https://openalex.org/W2140538197","https://openalex.org/W2143254097","https://openalex.org/W2150341604","https://openalex.org/W2151550848","https://openalex.org/W2161151688","https://openalex.org/W2164088236","https://openalex.org/W2171653734","https://openalex.org/W2183341477","https://openalex.org/W2194775991","https://openalex.org/W2301358467","https://openalex.org/W2328959020","https://openalex.org/W2335469959","https://openalex.org/W2343614482","https://openalex.org/W2546302380","https://openalex.org/W2777416523","https://openalex.org/W2835515562","https://openalex.org/W2902040414","https://openalex.org/W2914877211","https://openalex.org/W2919115771","https://openalex.org/W2924545821","https://openalex.org/W2950023118","https://openalex.org/W2951395093","https://openalex.org/W2962851944","https://openalex.org/W2963739978","https://openalex.org/W2964121744","https://openalex.org/W6674330103","https://openalex.org/W6685133223"],"related_works":["https://openalex.org/W3013693939","https://openalex.org/W2159052453","https://openalex.org/W2566616303","https://openalex.org/W3131327266","https://openalex.org/W2734887215","https://openalex.org/W4297051394","https://openalex.org/W2752972570","https://openalex.org/W2145836866","https://openalex.org/W4321789545","https://openalex.org/W2789551765"],"abstract_inverted_index":{"MOTIVATION:":[0],"Fast":[1],"and":[2,42,88,159],"accurate":[3],"classification":[4],"of":[5,15,27,30,123,155,169],"ligand-binding":[6,66,124],"sites":[7,90,125],"in":[8,37,200],"proteins":[9],"with":[10,81,91,181,202],"respect":[11],"to":[12,22,35,54,64,71,85,95,126,137,149,174,189],"the":[13,23,120,135,153,203],"class":[14],"binding":[16],"molecules":[17],"is":[18,70,185,198],"invaluable":[19],"not":[20],"only":[21],"automatic":[24],"functional":[25],"annotation":[26],"large":[28],"datasets":[29],"protein":[31,38,40],"structures":[32,122],"but":[33],"also":[34,165],"projects":[36],"evolution,":[39],"engineering":[41],"drug":[43],"development.":[44],"Deep":[45],"learning":[46,76],"techniques,":[47],"which":[48,130],"have":[49],"already":[50],"been":[51],"successfully":[52],"applied":[53],"address":[55],"challenging":[56],"problems":[57],"across":[58],"various":[59],"fields,":[60],"are":[61,131,214],"inherently":[62],"suitable":[63],"classify":[65],"pockets.":[67,163],"Our":[68],"goal":[69],"demonstrate":[72],"that":[73],"off-the-shelf":[74],"deep":[75,106],"models":[77],"can":[78],"be":[79],"employed":[80],"minimum":[82],"development":[83],"effort":[84],"recognize":[86],"nucleotide-":[87,158],"heme-binding":[89,162],"a":[92,104,110,138,186],"comparable":[93],"accuracy":[94,154],"highly":[96],"specialized,":[97],"voxel-based":[98],"methods.":[99],"RESULTS:":[100],"We":[101],"developed":[102],"BionoiNet,":[103],"new":[105],"learning-based":[107],"framework":[108],"implementing":[109],"popular":[111],"ResNet":[112,145],"model":[113,146],"for":[114,157,161],"image":[115],"classification.":[116],"BionoiNet":[117,164,184,197],"first":[118],"transforms":[119],"molecular":[121],"2D":[127],"Voronoi":[128],"diagrams,":[129],"then":[132],"used":[133],"as":[134],"input":[136],"pretrained":[139],"convolutional":[140],"neural":[141],"network":[142],"classifier.":[143],"The":[144],"generalizes":[147],"well":[148],"unseen":[150],"data":[151,213],"achieving":[152],"85.6%":[156],"91.3%":[160],"computes":[166],"significance":[167],"scores":[168],"pocket":[170],"atoms,":[171],"called":[172],"BionoiScores,":[173],"provide":[175],"meaningful":[176],"insights":[177],"into":[178],"their":[179],"interactions":[180],"ligand":[182],"molecules.":[183],"lightweight":[187],"alternative":[188],"computationally":[190],"expensive":[191],"3D":[192],"architectures.":[193],"AVAILABILITY":[194],"AND":[195],"IMPLEMENTATION:":[196],"implemented":[199],"Python":[201],"source":[204],"code":[205],"freely":[206],"available":[207,215],"at:":[208],"https://github.com/CSBG-LSU/BionoiNet.":[209],"SUPPLEMENTARY":[210],"INFORMATION:":[211],"Supplementary":[212],"at":[216],"Bioinformatics":[217],"online.":[218]},"counts_by_year":[{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":3}],"updated_date":"2026-05-21T06:26:12.895304","created_date":"2025-10-10T00:00:00"}