{"id":"https://openalex.org/W4387346533","doi":"https://doi.org/10.1145/3584371.3613058","title":"Drug Target Prioritization Based on Ligand Binding Pocket and Disease-Target Association Scores","display_name":"Drug Target Prioritization Based on Ligand Binding Pocket and Disease-Target Association Scores","publication_year":2023,"publication_date":"2023-09-03","ids":{"openalex":"https://openalex.org/W4387346533","doi":"https://doi.org/10.1145/3584371.3613058"},"language":"en","primary_location":{"id":"doi:10.1145/3584371.3613058","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3584371.3613058","pdf_url":"https://dl.acm.org/doi/pdf/10.1145/3584371.3613058","source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 14th ACM International Conference on Bioinformatics, Computational Biology, and Health Informatics","raw_type":"proceedings-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://dl.acm.org/doi/pdf/10.1145/3584371.3613058","any_repository_has_fulltext":null},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5101435114","display_name":"Ayush Garg","orcid":"https://orcid.org/0009-0006-8347-8465"},"institutions":[{"id":"https://openalex.org/I55215948","display_name":"Tata Consultancy Services (India)","ror":"https://ror.org/01b9n8m42","country_code":"IN","type":"company","lineage":["https://openalex.org/I4210086519","https://openalex.org/I55215948"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Ayush Garg","raw_affiliation_strings":["Tata Consultancy Services Limited, India, Chennai, Tamil Nadu, India"],"raw_orcid":"https://orcid.org/0009-0006-8347-8465","affiliations":[{"raw_affiliation_string":"Tata Consultancy Services Limited, India, Chennai, Tamil Nadu, India","institution_ids":["https://openalex.org/I55215948"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063954917","display_name":"Shyam Sundar Das","orcid":"https://orcid.org/0009-0004-9413-1753"},"institutions":[{"id":"https://openalex.org/I55215948","display_name":"Tata Consultancy Services (India)","ror":"https://ror.org/01b9n8m42","country_code":"IN","type":"company","lineage":["https://openalex.org/I4210086519","https://openalex.org/I55215948"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Shyam Sundar Das","raw_affiliation_strings":["Tata Consultancy Services Limited, India, Chennai, Tamil Nadu, India"],"raw_orcid":"https://orcid.org/0009-0004-9413-1753","affiliations":[{"raw_affiliation_string":"Tata Consultancy Services Limited, India, Chennai, Tamil Nadu, India","institution_ids":["https://openalex.org/I55215948"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5007730641","display_name":"Narayanan Ramamurthi","orcid":"https://orcid.org/0009-0001-1067-9040"},"institutions":[{"id":"https://openalex.org/I55215948","display_name":"Tata Consultancy Services (India)","ror":"https://ror.org/01b9n8m42","country_code":"IN","type":"company","lineage":["https://openalex.org/I4210086519","https://openalex.org/I55215948"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Narayanan Ramamurthi","raw_affiliation_strings":["Tata Consultancy Services Limited, Chennai, Tamil Nadu, India"],"raw_orcid":"https://orcid.org/0009-0001-1067-9040","affiliations":[{"raw_affiliation_string":"Tata Consultancy Services Limited, Chennai, Tamil Nadu, India","institution_ids":["https://openalex.org/I55215948"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5101435114"],"corresponding_institution_ids":["https://openalex.org/I55215948"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.19948221,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"1","last_page":"1"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998000264167786,"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"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998000264167786,"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/T10887","display_name":"Bioinformatics and Genomic Networks","score":0.9829999804496765,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9520000219345093,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/prioritization","display_name":"Prioritization","score":0.8233324289321899},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.6219116449356079},{"id":"https://openalex.org/keywords/drug-target","display_name":"Drug target","score":0.5988484025001526},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5869723558425903},{"id":"https://openalex.org/keywords/selection","display_name":"Selection (genetic algorithm)","score":0.5625006556510925},{"id":"https://openalex.org/keywords/association","display_name":"Association (psychology)","score":0.47282159328460693},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.4688830077648163},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.4525354504585266},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.44385772943496704},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.33939987421035767},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.33446672558784485},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.26736295223236084},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.21430465579032898},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.146983802318573},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.131122887134552},{"id":"https://openalex.org/keywords/psychology","display_name":"Psychology","score":0.06537505984306335}],"concepts":[{"id":"https://openalex.org/C2777615720","wikidata":"https://www.wikidata.org/wiki/Q11888847","display_name":"Prioritization","level":2,"score":0.8233324289321899},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.6219116449356079},{"id":"https://openalex.org/C2989108626","wikidata":"https://www.wikidata.org/wiki/Q904407","display_name":"Drug target","level":2,"score":0.5988484025001526},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5869723558425903},{"id":"https://openalex.org/C81917197","wikidata":"https://www.wikidata.org/wiki/Q628760","display_name":"Selection (genetic algorithm)","level":2,"score":0.5625006556510925},{"id":"https://openalex.org/C142853389","wikidata":"https://www.wikidata.org/wiki/Q744778","display_name":"Association (psychology)","level":2,"score":0.47282159328460693},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.4688830077648163},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.4525354504585266},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.44385772943496704},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.33939987421035767},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.33446672558784485},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.26736295223236084},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.21430465579032898},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.146983802318573},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.131122887134552},{"id":"https://openalex.org/C15744967","wikidata":"https://www.wikidata.org/wiki/Q9418","display_name":"Psychology","level":0,"score":0.06537505984306335},{"id":"https://openalex.org/C539667460","wikidata":"https://www.wikidata.org/wiki/Q2414942","display_name":"Management science","level":1,"score":0.0},{"id":"https://openalex.org/C542102704","wikidata":"https://www.wikidata.org/wiki/Q183257","display_name":"Psychotherapist","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1145/3584371.3613058","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3584371.3613058","pdf_url":"https://dl.acm.org/doi/pdf/10.1145/3584371.3613058","source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 14th ACM International Conference on Bioinformatics, Computational Biology, and Health Informatics","raw_type":"proceedings-article"}],"best_oa_location":{"id":"doi:10.1145/3584371.3613058","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3584371.3613058","pdf_url":"https://dl.acm.org/doi/pdf/10.1145/3584371.3613058","source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 14th ACM International Conference on Bioinformatics, Computational Biology, and Health Informatics","raw_type":"proceedings-article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4387346533.pdf","grobid_xml":"https://content.openalex.org/works/W4387346533.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2553548503","https://openalex.org/W1967404732","https://openalex.org/W2226749982","https://openalex.org/W3045995536","https://openalex.org/W1968386238","https://openalex.org/W4308253407","https://openalex.org/W4310831746","https://openalex.org/W3206915023","https://openalex.org/W2119629574","https://openalex.org/W4379010217"],"abstract_inverted_index":{"Target":[0],"prioritization":[1],"(TP)":[2],"plays":[3],"a":[4,15,30],"pivotal":[5],"role":[6],"in":[7,18,57,86,116],"drug":[8,24],"discovery":[9,25],"and":[10,62,107,122],"often,":[11],"poor":[12],"selection":[13],"of":[14,53,71,75,84,91,118],"target":[16],"results":[17],"unfavorable":[19],"target-disease":[20],"association,":[21],"leading":[22],"to":[23,88,114],"failures.":[26],"We":[27,94],"present":[28],"herein":[29],"new":[31],"approach":[32,98,111],"for":[33,78,126],"TP":[34,79],"based":[35],"on":[36,44],"i)":[37],"predicted":[38,46],"ligand-binding":[39],"pockets":[40],"using":[41,99],"P2Rank":[42],"algorithm":[43],"AlphaFold's":[45],"3D":[47],"protein":[48],"structures,":[49],"ii)":[50],"six":[51],"types":[52],"biological":[54],"information,":[55],"available":[56],"Open":[58],"Targets":[59],"(OT)":[60],"platform":[61],"iii)":[63],"three":[64],"Machine":[65],"Learning":[66],"(ML)":[67],"techniques.":[68],"The":[69],"use":[70],"binding":[72],"pocket":[73],"information":[74],"molecular":[76],"targets":[77],"is":[80,112],"not":[81],"known":[82],"as":[83],"date":[85],"literature,":[87],"the":[89],"best":[90],"our":[92,97,110],"knowledge.":[93],"have":[95],"validated":[96],"35":[100],"diseases,":[101],"compared":[102],"its":[103],"performance":[104],"with":[105],"OT":[106,115],"observed":[108],"that":[109],"superior":[113],"terms":[117],"several":[119],"statistical":[120],"metrics":[121],"thus,":[123],"offers":[124],"potential":[125],"real":[127],"world":[128],"applications.":[129]},"counts_by_year":[],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
