{"id":"https://openalex.org/W4220982113","doi":"https://doi.org/10.1093/bioinformatics/btac192","title":"Interpretable-ADMET: a web service for ADMET prediction and optimization based on deep neural representation","display_name":"Interpretable-ADMET: a web service for ADMET prediction and optimization based on deep neural representation","publication_year":2022,"publication_date":"2022-03-28","ids":{"openalex":"https://openalex.org/W4220982113","doi":"https://doi.org/10.1093/bioinformatics/btac192","pmid":"https://pubmed.ncbi.nlm.nih.gov/35561160"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btac192","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btac192","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/A5102976706","display_name":"Yu Wei","orcid":"https://orcid.org/0000-0002-9262-6961"},"institutions":[{"id":"https://openalex.org/I4391767646","display_name":"State Key Laboratory of Medicinal Chemical Biology","ror":"https://ror.org/032p70522","country_code":null,"type":"facility","lineage":["https://openalex.org/I205237279","https://openalex.org/I4391767646"]},{"id":"https://openalex.org/I205237279","display_name":"Nankai University","ror":"https://ror.org/01y1kjr75","country_code":"CN","type":"education","lineage":["https://openalex.org/I205237279"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yu Wei","raw_affiliation_strings":["State Key Laboratory of Medicinal Chemical Biology, Frontiers Science Center for Cell Responses, College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University , Tianjin 300353, China"],"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Medicinal Chemical Biology, Frontiers Science Center for Cell Responses, College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University , Tianjin 300353, China","institution_ids":["https://openalex.org/I205237279","https://openalex.org/I4391767646"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100371446","display_name":"Shanshan Li","orcid":"https://orcid.org/0000-0001-5116-3588"},"institutions":[{"id":"https://openalex.org/I205237279","display_name":"Nankai University","ror":"https://ror.org/01y1kjr75","country_code":"CN","type":"education","lineage":["https://openalex.org/I205237279"]},{"id":"https://openalex.org/I4391767646","display_name":"State Key Laboratory of Medicinal Chemical Biology","ror":"https://ror.org/032p70522","country_code":null,"type":"facility","lineage":["https://openalex.org/I205237279","https://openalex.org/I4391767646"]},{"id":"https://openalex.org/I4210112130","display_name":"Tianjin International Joint Academy of Biomedicine","ror":"https://ror.org/01v11cc68","country_code":"CN","type":"other","lineage":["https://openalex.org/I4210112130"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Shanshan Li","raw_affiliation_strings":["Platform of Pharmaceutical Intelligence, Tianjin International Joint Academy of Biomedicine , Tianjin 300457, China","State Key Laboratory of Medicinal Chemical Biology, Frontiers Science Center for Cell Responses, College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University , Tianjin 300353, China"],"affiliations":[{"raw_affiliation_string":"Platform of Pharmaceutical Intelligence, Tianjin International Joint Academy of Biomedicine , Tianjin 300457, China","institution_ids":["https://openalex.org/I4210112130"]},{"raw_affiliation_string":"State Key Laboratory of Medicinal Chemical Biology, Frontiers Science Center for Cell Responses, College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University , Tianjin 300353, China","institution_ids":["https://openalex.org/I205237279","https://openalex.org/I4391767646"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5052600804","display_name":"Zhonglin Li","orcid":"https://orcid.org/0000-0003-3659-2389"},"institutions":[{"id":"https://openalex.org/I4210112130","display_name":"Tianjin International Joint Academy of Biomedicine","ror":"https://ror.org/01v11cc68","country_code":"CN","type":"other","lineage":["https://openalex.org/I4210112130"]},{"id":"https://openalex.org/I205237279","display_name":"Nankai University","ror":"https://ror.org/01y1kjr75","country_code":"CN","type":"education","lineage":["https://openalex.org/I205237279"]},{"id":"https://openalex.org/I4391767646","display_name":"State Key Laboratory of Medicinal Chemical Biology","ror":"https://ror.org/032p70522","country_code":null,"type":"facility","lineage":["https://openalex.org/I205237279","https://openalex.org/I4391767646"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhonglin Li","raw_affiliation_strings":["Platform of Pharmaceutical Intelligence, Tianjin International Joint Academy of Biomedicine , Tianjin 300457, China","State Key Laboratory of Medicinal Chemical Biology, Frontiers Science Center for Cell Responses, College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University , Tianjin 300353, China"],"affiliations":[{"raw_affiliation_string":"Platform of Pharmaceutical Intelligence, Tianjin International Joint Academy of Biomedicine , Tianjin 300457, China","institution_ids":["https://openalex.org/I4210112130"]},{"raw_affiliation_string":"State Key Laboratory of Medicinal Chemical Biology, Frontiers Science Center for Cell Responses, College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University , Tianjin 300353, China","institution_ids":["https://openalex.org/I205237279","https://openalex.org/I4391767646"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006183400","display_name":"Wan Ziwei","orcid":null},"institutions":[{"id":"https://openalex.org/I4210112130","display_name":"Tianjin International Joint Academy of Biomedicine","ror":"https://ror.org/01v11cc68","country_code":"CN","type":"other","lineage":["https://openalex.org/I4210112130"]},{"id":"https://openalex.org/I205237279","display_name":"Nankai University","ror":"https://ror.org/01y1kjr75","country_code":"CN","type":"education","lineage":["https://openalex.org/I205237279"]},{"id":"https://openalex.org/I4391767646","display_name":"State Key Laboratory of Medicinal Chemical Biology","ror":"https://ror.org/032p70522","country_code":null,"type":"facility","lineage":["https://openalex.org/I205237279","https://openalex.org/I4391767646"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Ziwei Wan","raw_affiliation_strings":["Platform of Pharmaceutical Intelligence, Tianjin International Joint Academy of Biomedicine , Tianjin 300457, China","State Key Laboratory of Medicinal Chemical Biology, Frontiers Science Center for Cell Responses, College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University , Tianjin 300353, China"],"affiliations":[{"raw_affiliation_string":"Platform of Pharmaceutical Intelligence, Tianjin International Joint Academy of Biomedicine , Tianjin 300457, China","institution_ids":["https://openalex.org/I4210112130"]},{"raw_affiliation_string":"State Key Laboratory of Medicinal Chemical Biology, Frontiers Science Center for Cell Responses, College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University , Tianjin 300353, China","institution_ids":["https://openalex.org/I205237279","https://openalex.org/I4391767646"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5047297311","display_name":"Jianping Lin","orcid":"https://orcid.org/0000-0001-6974-0072"},"institutions":[{"id":"https://openalex.org/I205237279","display_name":"Nankai University","ror":"https://ror.org/01y1kjr75","country_code":"CN","type":"education","lineage":["https://openalex.org/I205237279"]},{"id":"https://openalex.org/I4210139473","display_name":"Tianjin Institute of Industrial Biotechnology","ror":"https://ror.org/042pyga86","country_code":"CN","type":"nonprofit","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210139473"]},{"id":"https://openalex.org/I4391767646","display_name":"State Key Laboratory of Medicinal Chemical Biology","ror":"https://ror.org/032p70522","country_code":null,"type":"facility","lineage":["https://openalex.org/I205237279","https://openalex.org/I4391767646"]},{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210112130","display_name":"Tianjin International Joint Academy of Biomedicine","ror":"https://ror.org/01v11cc68","country_code":"CN","type":"other","lineage":["https://openalex.org/I4210112130"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Jianping Lin","raw_affiliation_strings":["Biodesign Center, Tianjin Institute of Industrial Biotechnology, Chinese Academy of Sciences , Tianjin 300308, China","Platform of Pharmaceutical Intelligence, Tianjin International Joint Academy of Biomedicine , Tianjin 300457, China","State Key Laboratory of Medicinal Chemical Biology, Frontiers Science Center for Cell Responses, College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University , Tianjin 300353, China"],"affiliations":[{"raw_affiliation_string":"Biodesign Center, Tianjin Institute of Industrial Biotechnology, Chinese Academy of Sciences , Tianjin 300308, China","institution_ids":["https://openalex.org/I4210139473","https://openalex.org/I19820366"]},{"raw_affiliation_string":"Platform of Pharmaceutical Intelligence, Tianjin International Joint Academy of Biomedicine , Tianjin 300457, China","institution_ids":["https://openalex.org/I4210112130"]},{"raw_affiliation_string":"State Key Laboratory of Medicinal Chemical Biology, Frontiers Science Center for Cell Responses, College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University , Tianjin 300353, China","institution_ids":["https://openalex.org/I205237279","https://openalex.org/I4391767646"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5047297311"],"corresponding_institution_ids":["https://openalex.org/I19820366","https://openalex.org/I205237279","https://openalex.org/I4210112130","https://openalex.org/I4210139473","https://openalex.org/I4391767646"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":null,"fwci":10.5257,"has_fulltext":false,"cited_by_count":77,"citation_normalized_percentile":{"value":0.98775316,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":97,"max":100},"biblio":{"volume":"38","issue":"10","first_page":"2863","last_page":"2871"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":1.0,"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":1.0,"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":0.9725000262260437,"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":0.9377999901771545,"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/computer-science","display_name":"Computer science","score":0.7456160187721252},{"id":"https://openalex.org/keywords/property","display_name":"Property (philosophy)","score":0.5105313062667847},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.501734733581543},{"id":"https://openalex.org/keywords/graph","display_name":"Graph","score":0.4746706485748291},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.4666231870651245},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.4638540744781494},{"id":"https://openalex.org/keywords/convolutional-neural-network","display_name":"Convolutional neural network","score":0.4551650285720825},{"id":"https://openalex.org/keywords/cheminformatics","display_name":"Cheminformatics","score":0.43211230635643005},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.42879974842071533},{"id":"https://openalex.org/keywords/representation","display_name":"Representation (politics)","score":0.41601261496543884},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.4115290641784668},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.18494224548339844},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.18455567955970764}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7456160187721252},{"id":"https://openalex.org/C189950617","wikidata":"https://www.wikidata.org/wiki/Q937228","display_name":"Property (philosophy)","level":2,"score":0.5105313062667847},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.501734733581543},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.4746706485748291},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.4666231870651245},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.4638540744781494},{"id":"https://openalex.org/C81363708","wikidata":"https://www.wikidata.org/wiki/Q17084460","display_name":"Convolutional neural network","level":2,"score":0.4551650285720825},{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.43211230635643005},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.42879974842071533},{"id":"https://openalex.org/C2776359362","wikidata":"https://www.wikidata.org/wiki/Q2145286","display_name":"Representation (politics)","level":3,"score":0.41601261496543884},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.4115290641784668},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.18494224548339844},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.18455567955970764},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"score":0.0},{"id":"https://openalex.org/C111472728","wikidata":"https://www.wikidata.org/wiki/Q9471","display_name":"Epistemology","level":1,"score":0.0},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0},{"id":"https://openalex.org/C199539241","wikidata":"https://www.wikidata.org/wiki/Q7748","display_name":"Law","level":1,"score":0.0},{"id":"https://openalex.org/C94625758","wikidata":"https://www.wikidata.org/wiki/Q7163","display_name":"Politics","level":2,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","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},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1093/bioinformatics/btac192","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btac192","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:35561160","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/35561160","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":[],"awards":[{"id":"https://openalex.org/G4068925388","display_name":null,"funder_award_id":"2017YFC1104400","funder_id":"https://openalex.org/F4320335777","funder_display_name":"National Key Research and Development Program of China"}],"funders":[{"id":"https://openalex.org/F4320335777","display_name":"National Key Research and Development Program of China","ror":null}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":42,"referenced_works":["https://openalex.org/W807317906","https://openalex.org/W1972766890","https://openalex.org/W2005518172","https://openalex.org/W2031449719","https://openalex.org/W2043509228","https://openalex.org/W2108952204","https://openalex.org/W2109327588","https://openalex.org/W2110869886","https://openalex.org/W2118339791","https://openalex.org/W2120869341","https://openalex.org/W2137626050","https://openalex.org/W2168493021","https://openalex.org/W2263715254","https://openalex.org/W2290847742","https://openalex.org/W2407586185","https://openalex.org/W2593436234","https://openalex.org/W2600089637","https://openalex.org/W2616247523","https://openalex.org/W2767891136","https://openalex.org/W2801088198","https://openalex.org/W2803615944","https://openalex.org/W2810023675","https://openalex.org/W2884561390","https://openalex.org/W2886544065","https://openalex.org/W2888936354","https://openalex.org/W2900090807","https://openalex.org/W2944466104","https://openalex.org/W2945976633","https://openalex.org/W2946617578","https://openalex.org/W2948035163","https://openalex.org/W2963374347","https://openalex.org/W3033103661","https://openalex.org/W3080273308","https://openalex.org/W3097145107","https://openalex.org/W3100157108","https://openalex.org/W3102564565","https://openalex.org/W3116604690","https://openalex.org/W3123775255","https://openalex.org/W3147396265","https://openalex.org/W3154258817","https://openalex.org/W3215476983","https://openalex.org/W6782807262"],"related_works":["https://openalex.org/W1573015311","https://openalex.org/W2889938001","https://openalex.org/W4386509167","https://openalex.org/W3165034028","https://openalex.org/W1570419641","https://openalex.org/W4402084195","https://openalex.org/W1964657534","https://openalex.org/W2070692310","https://openalex.org/W4200184670","https://openalex.org/W4376484878"],"abstract_inverted_index":{"Supplementary":[0],"data":[1],"are":[2],"available":[3],"at":[4],"Bioinformatics":[5],"online.":[6]},"counts_by_year":[{"year":2026,"cited_by_count":7},{"year":2025,"cited_by_count":30},{"year":2024,"cited_by_count":25},{"year":2023,"cited_by_count":11},{"year":2022,"cited_by_count":4}],"updated_date":"2026-03-14T08:43:22.919905","created_date":"2022-04-03T00:00:00"}
