{"id":"https://openalex.org/W4399940463","doi":"https://doi.org/10.1093/bioinformatics/btae416","title":"ADMET-AI: a machine learning ADMET platform for evaluation of large-scale chemical libraries","display_name":"ADMET-AI: a machine learning ADMET platform for evaluation of large-scale chemical libraries","publication_year":2024,"publication_date":"2024-06-21","ids":{"openalex":"https://openalex.org/W4399940463","doi":"https://doi.org/10.1093/bioinformatics/btae416","pmid":"https://pubmed.ncbi.nlm.nih.gov/38913862"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btae416","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btae416","pdf_url":"https://academic.oup.com/bioinformatics/advance-article-pdf/doi/10.1093/bioinformatics/btae416/58319615/btae416.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":true,"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","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":"gold","oa_url":"https://academic.oup.com/bioinformatics/advance-article-pdf/doi/10.1093/bioinformatics/btae416/58319615/btae416.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5005590626","display_name":"Kyle Swanson","orcid":"https://orcid.org/0000-0002-7385-7844"},"institutions":[{"id":"https://openalex.org/I97018004","display_name":"Stanford University","ror":"https://ror.org/00f54p054","country_code":"US","type":"education","lineage":["https://openalex.org/I97018004"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Kyle Swanson","raw_affiliation_strings":["Department of Computer Science, Stanford University , 353 Jane Stanford Way , Stanford, CA 94305, USA","Greenstone Biosciences , 3160 Porter Drive, Suite 140 , Palo Alto, CA 94304, USA"],"raw_orcid":"https://orcid.org/0000-0002-7385-7844","affiliations":[{"raw_affiliation_string":"Department of Computer Science, Stanford University , 353 Jane Stanford Way , Stanford, CA 94305, USA","institution_ids":["https://openalex.org/I97018004"]},{"raw_affiliation_string":"Greenstone Biosciences , 3160 Porter Drive, Suite 140 , Palo Alto, CA 94304, USA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5114142896","display_name":"Parker Walther","orcid":null},"institutions":[{"id":"https://openalex.org/I188497080","display_name":"Carleton College","ror":"https://ror.org/03jep7677","country_code":"US","type":"education","lineage":["https://openalex.org/I188497080"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Parker Walther","raw_affiliation_strings":["Carleton College , One North College Street , Northfield, MN 55057, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Carleton College , One North College Street , Northfield, MN 55057, USA","institution_ids":["https://openalex.org/I188497080"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111967345","display_name":"Jeremy Leitz","orcid":"https://orcid.org/0009-0009-9976-2497"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Jeremy Leitz","raw_affiliation_strings":["Greenstone Biosciences , 3160 Porter Drive, Suite 140 , Palo Alto, CA 94304, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Greenstone Biosciences , 3160 Porter Drive, Suite 140 , Palo Alto, CA 94304, USA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076940737","display_name":"Souhrid Mukherjee","orcid":"https://orcid.org/0000-0002-8355-3000"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Souhrid Mukherjee","raw_affiliation_strings":["Greenstone Biosciences , 3160 Porter Drive, Suite 140 , Palo Alto, CA 94304, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Greenstone Biosciences , 3160 Porter Drive, Suite 140 , Palo Alto, CA 94304, USA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5047561254","display_name":"Joseph C. Wu","orcid":"https://orcid.org/0000-0002-6068-8041"},"institutions":[{"id":"https://openalex.org/I25790992","display_name":"Cardiovascular Institute of the South","ror":"https://ror.org/02c2gwm94","country_code":"US","type":"other","lineage":["https://openalex.org/I25790992"]},{"id":"https://openalex.org/I97018004","display_name":"Stanford University","ror":"https://ror.org/00f54p054","country_code":"US","type":"education","lineage":["https://openalex.org/I97018004"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Joseph C Wu","raw_affiliation_strings":["Stanford Cardiovascular Institute, Stanford University , 265 Campus Drive , Stanford, CA 94305, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Stanford Cardiovascular Institute, Stanford University , 265 Campus Drive , Stanford, CA 94305, USA","institution_ids":["https://openalex.org/I25790992","https://openalex.org/I97018004"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054177213","display_name":"Rabindra V. Shivnaraine","orcid":null},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Rabindra V Shivnaraine","raw_affiliation_strings":["Greenstone Biosciences , 3160 Porter Drive, Suite 140 , Palo Alto, CA 94304, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Greenstone Biosciences , 3160 Porter Drive, Suite 140 , Palo Alto, CA 94304, USA","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5005779176","display_name":"James Zou","orcid":"https://orcid.org/0000-0001-8880-4764"},"institutions":[{"id":"https://openalex.org/I97018004","display_name":"Stanford University","ror":"https://ror.org/00f54p054","country_code":"US","type":"education","lineage":["https://openalex.org/I97018004"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"James Zou","raw_affiliation_strings":["Department of Biomedical Data Science, Stanford University , 1265 Welch Road , Stanford, CA 94305, USA","Department of Computer Science, Stanford University , 353 Jane Stanford Way , Stanford, CA 94305, USA"],"raw_orcid":"https://orcid.org/0000-0001-8880-4764","affiliations":[{"raw_affiliation_string":"Department of Biomedical Data Science, Stanford University , 1265 Welch Road , Stanford, CA 94305, USA","institution_ids":["https://openalex.org/I97018004"]},{"raw_affiliation_string":"Department of Computer Science, Stanford University , 353 Jane Stanford Way , Stanford, CA 94305, USA","institution_ids":["https://openalex.org/I97018004"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5005590626","https://openalex.org/A5005779176","https://openalex.org/A5054177213"],"corresponding_institution_ids":["https://openalex.org/I97018004"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":{"value":3618,"currency":"USD","value_usd":3618},"fwci":73.5923,"has_fulltext":true,"cited_by_count":256,"citation_normalized_percentile":{"value":0.99973363,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"40","issue":"7","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9581000208854675,"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":0.9581000208854675,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.009800000116229057,"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"}},{"id":"https://openalex.org/T13180","display_name":"Chemistry and Chemical Engineering","score":0.005100000184029341,"subfield":{"id":"https://openalex.org/subfields/2304","display_name":"Environmental Chemistry"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/python","display_name":"Python (programming language)","score":0.7942277193069458},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.669699490070343},{"id":"https://openalex.org/keywords/web-site","display_name":"Web site","score":0.5622549057006836},{"id":"https://openalex.org/keywords/web-server","display_name":"Web server","score":0.5410150289535522},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.47757986187934875},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.41506093740463257},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.36180219054222107},{"id":"https://openalex.org/keywords/the-internet","display_name":"The Internet","score":0.3214556574821472},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.30834540724754333},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.26363661885261536},{"id":"https://openalex.org/keywords/operating-system","display_name":"Operating system","score":0.23960918188095093},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.08547759056091309}],"concepts":[{"id":"https://openalex.org/C519991488","wikidata":"https://www.wikidata.org/wiki/Q28865","display_name":"Python (programming language)","level":2,"score":0.7942277193069458},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.669699490070343},{"id":"https://openalex.org/C2984519610","wikidata":"https://www.wikidata.org/wiki/Q35127","display_name":"Web site","level":3,"score":0.5622549057006836},{"id":"https://openalex.org/C11392498","wikidata":"https://www.wikidata.org/wiki/Q11288","display_name":"Web server","level":3,"score":0.5410150289535522},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.47757986187934875},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.41506093740463257},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.36180219054222107},{"id":"https://openalex.org/C110875604","wikidata":"https://www.wikidata.org/wiki/Q75","display_name":"The Internet","level":2,"score":0.3214556574821472},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.30834540724754333},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.26363661885261536},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.23960918188095093},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.08547759056091309}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","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":"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":"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":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1093/bioinformatics/btae416","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btae416","pdf_url":"https://academic.oup.com/bioinformatics/advance-article-pdf/doi/10.1093/bioinformatics/btae416/58319615/btae416.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":true,"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},{"id":"pmid:38913862","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38913862","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:pubmedcentral.nih.gov:11226862","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/11226862","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC11226862/pdf/btae416.pdf","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Bioinformatics","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1093/bioinformatics/btae416","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btae416","pdf_url":"https://academic.oup.com/bioinformatics/advance-article-pdf/doi/10.1093/bioinformatics/btae416/58319615/btae416.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":true,"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.6100000143051147}],"awards":[{"id":"https://openalex.org/G1528894585","display_name":null,"funder_award_id":"R01 HL171102","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G2476543171","display_name":null,"funder_award_id":"R01 HL171102","funder_id":"https://openalex.org/F4320337338","funder_display_name":"National Heart, Lung, and Blood Institute"},{"id":"https://openalex.org/G4661474153","display_name":null,"funder_award_id":"HL163680","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G5481620019","display_name":null,"funder_award_id":"R01 HL163680","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"}],"funders":[{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320337338","display_name":"National Heart, Lung, and Blood Institute","ror":"https://ror.org/012pb6c26"}],"has_content":{"grobid_xml":false,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4399940463.pdf"},"referenced_works_count":14,"referenced_works":["https://openalex.org/W2009867031","https://openalex.org/W2593436234","https://openalex.org/W2767891136","https://openalex.org/W2775175656","https://openalex.org/W2966357564","https://openalex.org/W2968734407","https://openalex.org/W3015208165","https://openalex.org/W3109916301","https://openalex.org/W3154258817","https://openalex.org/W3158755582","https://openalex.org/W3201539868","https://openalex.org/W4242746271","https://openalex.org/W4310709716","https://openalex.org/W4316507591"],"related_works":["https://openalex.org/W2341492732","https://openalex.org/W3187193180","https://openalex.org/W106542691","https://openalex.org/W1699080303","https://openalex.org/W4297799326","https://openalex.org/W3116064965","https://openalex.org/W4287027380","https://openalex.org/W3193760048","https://openalex.org/W4285822516","https://openalex.org/W2505261959"],"abstract_inverted_index":{"MOTIVATION:":[0],"The":[1,131],"emergence":[2],"of":[3,24],"large":[4],"chemical":[5,9,22],"repositories":[6],"and":[7,15,50,64,72,88,144,164],"combinatorial":[8],"spaces,":[10],"coupled":[11],"with":[12,97,118],"high-throughput":[13],"docking":[14],"generative":[16],"AI,":[17],"have":[18],"greatly":[19],"expanded":[20],"the":[21,79,84,92,105],"diversity":[23],"small":[25],"molecules":[26,38,123],"for":[27,32,120,150],"drug":[28],"discovery.":[29],"Selecting":[30],"compounds":[31],"experimental":[33],"validation":[34],"requires":[35],"filtering":[36],"these":[37],"based":[39],"on":[40,83,158,168],"favourable":[41],"druglike":[42],"properties,":[43],"such":[44],"as":[45,69,73,138,145],"Absorption,":[46],"Distribution,":[47],"Metabolism,":[48],"Excretion,":[49],"Toxicity":[51],"(ADMET).":[52],"RESULTS:":[53],"We":[54],"developed":[55],"ADMET-AI,":[56],"a":[57,70,74,98,139],"machine":[58],"learning":[59],"platform":[60,133],"that":[61],"provides":[62],"fast":[63],"accurate":[65],"ADMET":[66,86,95,109],"predictions":[67,119],"both":[68,137],"website":[71],"Python":[75,148],"package.":[76],"ADMET-AI":[77,112,132],"has":[78],"highest":[80],"average":[81],"rank":[82],"TDC":[85],"Leaderboard,":[87],"it":[89],"is":[90,134],"currently":[91],"fastest":[93,107],"web-based":[94],"predictor,":[96],"45%":[99],"reduction":[100],"in":[101],"time":[102],"compared":[103],"to":[104],"next":[106],"public":[108],"web":[110,140],"server.":[111],"can":[113],"also":[114],"be":[115],"run":[116],"locally":[117],"one":[121],"million":[122],"taking":[124],"just":[125],"3.1":[126],"h.":[127],"AVAILABILITY":[128],"AND":[129],"IMPLEMENTATION:":[130],"freely":[135],"available":[136],"server":[141],"at":[142,154,160,170],"admet.ai.greenstonebio.com":[143],"an":[146],"open-source":[147],"package":[149],"local":[151],"batch":[152],"prediction":[153],"github.com/swansonk14/admet_ai":[155],"(also":[156],"archived":[157,167],"Zenodo":[159,169],"doi.org/10.5281/zenodo.10372930).":[161],"All":[162],"data":[163],"models":[165],"are":[166],"doi.org/10.5281/zenodo.10372418.":[171]},"counts_by_year":[{"year":2026,"cited_by_count":101},{"year":2025,"cited_by_count":130},{"year":2024,"cited_by_count":25}],"updated_date":"2026-07-14T08:27:34.040176","created_date":"2025-10-10T00:00:00"}