{"id":"https://openalex.org/W2969132997","doi":"https://doi.org/10.1093/bioinformatics/btz638","title":"AntiHIV-Pred: web-resource for <i>in silico</i> prediction of anti-HIV/AIDS activity","display_name":"AntiHIV-Pred: web-resource for <i>in silico</i> prediction of anti-HIV/AIDS activity","publication_year":2019,"publication_date":"2019-08-15","ids":{"openalex":"https://openalex.org/W2969132997","doi":"https://doi.org/10.1093/bioinformatics/btz638","mag":"2969132997","pmid":"https://pubmed.ncbi.nlm.nih.gov/31418763"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btz638","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btz638","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":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5061371273","display_name":"Leonid Stolbov","orcid":"https://orcid.org/0000-0002-3258-8350"},"institutions":[{"id":"https://openalex.org/I4210152028","display_name":"Institute of Biomedical Chemistry","ror":"https://ror.org/040wrkp27","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210110862","https://openalex.org/I4210152028"]}],"countries":["RU"],"is_corresponding":true,"raw_author_name":"Leonid Stolbov","raw_affiliation_strings":["Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry , Moscow 119121, Russia"],"raw_orcid":"https://orcid.org/0000-0002-3258-8350","affiliations":[{"raw_affiliation_string":"Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry , Moscow 119121, Russia","institution_ids":["https://openalex.org/I4210152028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032795832","display_name":"D.S. Druzhilovskiy","orcid":"https://orcid.org/0000-0001-9024-1331"},"institutions":[{"id":"https://openalex.org/I4210152028","display_name":"Institute of Biomedical Chemistry","ror":"https://ror.org/040wrkp27","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210110862","https://openalex.org/I4210152028"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Dmitry Druzhilovskiy","raw_affiliation_strings":["Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry , Moscow 119121, Russia"],"raw_orcid":"https://orcid.org/0000-0001-9024-1331","affiliations":[{"raw_affiliation_string":"Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry , Moscow 119121, Russia","institution_ids":["https://openalex.org/I4210152028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5036658657","display_name":"Anastasia V. Rudik","orcid":"https://orcid.org/0000-0002-8916-9675"},"institutions":[{"id":"https://openalex.org/I4210152028","display_name":"Institute of Biomedical Chemistry","ror":"https://ror.org/040wrkp27","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210110862","https://openalex.org/I4210152028"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Anastasia Rudik","raw_affiliation_strings":["Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry , Moscow 119121, Russia"],"raw_orcid":"https://orcid.org/0000-0002-8916-9675","affiliations":[{"raw_affiliation_string":"Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry , Moscow 119121, Russia","institution_ids":["https://openalex.org/I4210152028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5050528382","display_name":"Dmitry Filimonov","orcid":"https://orcid.org/0000-0002-0339-8478"},"institutions":[{"id":"https://openalex.org/I4210152028","display_name":"Institute of Biomedical Chemistry","ror":"https://ror.org/040wrkp27","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210110862","https://openalex.org/I4210152028"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Dmitry Filimonov","raw_affiliation_strings":["Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry , Moscow 119121, Russia"],"raw_orcid":"https://orcid.org/0000-0002-0339-8478","affiliations":[{"raw_affiliation_string":"Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry , Moscow 119121, Russia","institution_ids":["https://openalex.org/I4210152028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029121475","display_name":"Vladimir Poroikov","orcid":"https://orcid.org/0000-0001-7937-2621"},"institutions":[{"id":"https://openalex.org/I4210152028","display_name":"Institute of Biomedical Chemistry","ror":"https://ror.org/040wrkp27","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210110862","https://openalex.org/I4210152028"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Vladimir Poroikov","raw_affiliation_strings":["Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry , Moscow 119121, Russia"],"raw_orcid":"https://orcid.org/0000-0001-7937-2621","affiliations":[{"raw_affiliation_string":"Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry , Moscow 119121, Russia","institution_ids":["https://openalex.org/I4210152028"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5078864876","display_name":"Marc C. Nicklaus","orcid":"https://orcid.org/0000-0002-4775-7030"},"institutions":[{"id":"https://openalex.org/I1299303238","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238"]},{"id":"https://openalex.org/I4210130649","display_name":"Frederick National Laboratory for Cancer Research","ror":"https://ror.org/03v6m3209","country_code":"US","type":"facility","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210130649","https://openalex.org/I4210140884"]},{"id":"https://openalex.org/I4210140884","display_name":"National Cancer Institute","ror":"https://ror.org/040gcmg81","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210140884"]},{"id":"https://openalex.org/I4210149717","display_name":"Center for Cancer Research","ror":"https://ror.org/05bjen692","country_code":"US","type":"facility","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210140884","https://openalex.org/I4210149717"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Marc Nicklaus","raw_affiliation_strings":["CADD Group, Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health , NCI-Frederick, Frederick, MD 21702, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"CADD Group, Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health , NCI-Frederick, Frederick, MD 21702, USA","institution_ids":["https://openalex.org/I4210130649","https://openalex.org/I1299303238","https://openalex.org/I4210140884","https://openalex.org/I4210149717"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5061371273"],"corresponding_institution_ids":["https://openalex.org/I4210152028"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":null,"fwci":2.2236,"has_fulltext":false,"cited_by_count":15,"citation_normalized_percentile":{"value":0.89212709,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":98},"biblio":{"volume":"36","issue":"3","first_page":"978","last_page":"979"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.5231000185012817,"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":0.5231000185012817,"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/T12254","display_name":"Machine Learning in Bioinformatics","score":0.26440000534057617,"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/T12576","display_name":"vaccines and immunoinformatics approaches","score":0.05660000070929527,"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/chembl","display_name":"chEMBL","score":0.9097754955291748},{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.6460169553756714},{"id":"https://openalex.org/keywords/human-immunodeficiency-virus","display_name":"Human immunodeficiency virus (HIV)","score":0.6411770582199097},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5878270864486694},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.529167652130127},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.525727391242981},{"id":"https://openalex.org/keywords/resource","display_name":"Resource (disambiguation)","score":0.5055224895477295},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.48868659138679504},{"id":"https://openalex.org/keywords/web-application","display_name":"Web application","score":0.4384726285934448},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.41433292627334595},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.4137861728668213},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.40120384097099304},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.39305350184440613},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.2633703052997589},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.2517367899417877},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.1682819426059723},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.14754879474639893},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.13209372758865356},{"id":"https://openalex.org/keywords/immunology","display_name":"Immunology","score":0.09955498576164246}],"concepts":[{"id":"https://openalex.org/C63222358","wikidata":"https://www.wikidata.org/wiki/Q6120337","display_name":"chEMBL","level":3,"score":0.9097754955291748},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.6460169553756714},{"id":"https://openalex.org/C3013748606","wikidata":"https://www.wikidata.org/wiki/Q15787","display_name":"Human immunodeficiency virus (HIV)","level":2,"score":0.6411770582199097},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5878270864486694},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.529167652130127},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.525727391242981},{"id":"https://openalex.org/C206345919","wikidata":"https://www.wikidata.org/wiki/Q20380951","display_name":"Resource (disambiguation)","level":2,"score":0.5055224895477295},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.48868659138679504},{"id":"https://openalex.org/C118643609","wikidata":"https://www.wikidata.org/wiki/Q189210","display_name":"Web application","level":2,"score":0.4384726285934448},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.41433292627334595},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.4137861728668213},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.40120384097099304},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.39305350184440613},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.2633703052997589},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.2517367899417877},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.1682819426059723},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.14754879474639893},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.13209372758865356},{"id":"https://openalex.org/C203014093","wikidata":"https://www.wikidata.org/wiki/Q101929","display_name":"Immunology","level":1,"score":0.09955498576164246},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","level":1,"score":0.0},{"id":"https://openalex.org/C31258907","wikidata":"https://www.wikidata.org/wiki/Q1301371","display_name":"Computer network","level":1,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006678","descriptor_name":"HIV","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D006678","descriptor_name":"HIV","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D006678","descriptor_name":"HIV","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D011239","descriptor_name":"Prednisolone","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":true},{"descriptor_ui":"D011239","descriptor_name":"Prednisolone","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":true},{"descriptor_ui":"D011239","descriptor_name":"Prednisolone","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","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":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014764","descriptor_name":"Viral Proteins","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D014764","descriptor_name":"Viral Proteins","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D014764","descriptor_name":"Viral Proteins","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015658","descriptor_name":"HIV Infections","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":true},{"descriptor_ui":"D015658","descriptor_name":"HIV Infections","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":true},{"descriptor_ui":"D015658","descriptor_name":"HIV Infections","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1093/bioinformatics/btz638","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btz638","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:31418763","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/31418763","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}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.7900000214576721,"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":11,"referenced_works":["https://openalex.org/W1984428215","https://openalex.org/W2056823366","https://openalex.org/W2085225242","https://openalex.org/W2127050796","https://openalex.org/W2128245586","https://openalex.org/W2268220070","https://openalex.org/W2337272231","https://openalex.org/W2402506318","https://openalex.org/W2412746331","https://openalex.org/W2791243833","https://openalex.org/W2799736077"],"related_works":["https://openalex.org/W2800402488","https://openalex.org/W2155478691","https://openalex.org/W3005441379","https://openalex.org/W1552948952","https://openalex.org/W4310672789","https://openalex.org/W2096541451","https://openalex.org/W4313855081","https://openalex.org/W4321254242","https://openalex.org/W2745013929","https://openalex.org/W4385760073"],"abstract_inverted_index":{"MOTIVATION:":[0],"Identification":[1],"of":[2,8,27,32,46,63,68,81,90,138,155,161,169],"new":[3],"molecules":[4,118],"promising":[5],"for":[6,66,79,99,107],"treatment":[7,67,168],"HIV-infection":[9,69],"and":[10,22,39,42,70,128,142,153],"HIV-associated":[11,170],"disorders":[12],"remains":[13],"an":[14],"important":[15],"task":[16],"in":[17,49,146],"order":[18],"to":[19,125],"provide":[20,53],"safer":[21],"more":[23],"effective":[24],"therapies.":[25],"Utilization":[26],"prior":[28],"knowledge":[29],"by":[30],"application":[31],"computer-aided":[33],"drug":[34],"discovery":[35],"approaches":[36],"reduces":[37],"time":[38],"financial":[40],"expenses":[41],"increases":[43],"the":[44,54,87,109,132,150,156,167,179,188],"chances":[45],"positive":[47],"results":[48],"anti-HIV":[50],"R&D.":[51],"To":[52],"scientific":[55],"community":[56],"with":[57,131,166,172],"a":[58,76],"tool":[59],"that":[60],"allows":[61],"estimating":[62],"potential":[64],"agents":[65,101],"its":[71],"comorbidities,":[72],"we":[73],"have":[74],"created":[75],"freely-available":[77],"web-resource":[78],"prediction":[80],"relevant":[82],"biological":[83,163],"activities":[84,164],"based":[85],"on":[86,187],"structural":[88],"formulae":[89],"drug-like":[91],"molecules.":[92],"RESULTS:":[93],"Over":[94],"50":[95],"000":[96],"experimental":[97],"records":[98],"anti-retroviral":[100],"from":[102],"ChEMBL":[103],"database":[104],"were":[105,123],"extracted":[106],"creating":[108],"training":[110],"sets.":[111],"After":[112],"careful":[113],"examination,":[114],"about":[115],"seven":[116],"thousand":[117],"inhibiting":[119],"five":[120],"HIV-1":[121],"proteins":[122],"used":[124],"develop":[126],"regression":[127],"classification":[129],"models":[130],"GUSAR":[133],"software.":[134],"The":[135],"average":[136],"values":[137],"R2":[139],"=":[140,144],"0.95":[141],"Q2":[143],"0.72":[145],"validation":[147],"procedure":[148],"demonstrated":[149],"reasonable":[151],"accuracy":[152,175],"predictivity":[154],"obtained":[157],"(Q)SAR":[158],"models.":[159],"Prediction":[160],"81":[162],"associated":[165],"comorbidities":[171],"92%":[173],"mean":[174],"was":[176],"realized":[177],"using":[178],"PASS":[180],"program.":[181],"AVAILABILITY":[182],"AND":[183],"IMPLEMENTATION:":[184],"Freely":[185],"available":[186,197],"web":[189],"at":[190,198],"http://www.way2drug.com/hiv/.":[191],"SUPPLEMENTARY":[192],"INFORMATION:":[193],"Supplementary":[194],"data":[195],"are":[196],"Bioinformatics":[199],"online.":[200]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":5},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":2}],"updated_date":"2026-05-21T06:26:12.895304","created_date":"2019-08-22T00:00:00"}
