{"id":"https://openalex.org/W4386158059","doi":"https://doi.org/10.1021/acs.jcim.3c00912","title":"Evaluating Scalable Supervised Learning for Synthesize-on-Demand Chemical Libraries","display_name":"Evaluating Scalable Supervised Learning for Synthesize-on-Demand Chemical Libraries","publication_year":2023,"publication_date":"2023-08-25","ids":{"openalex":"https://openalex.org/W4386158059","doi":"https://doi.org/10.1021/acs.jcim.3c00912","pmid":"https://pubmed.ncbi.nlm.nih.gov/37625010"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.3c00912","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00912","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1021/acs.jcim.3c00912","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5069015094","display_name":"Moayad Alnammi","orcid":"https://orcid.org/0000-0001-6792-5348"},"institutions":[{"id":"https://openalex.org/I134085113","display_name":"King Fahd University of Petroleum and Minerals","ror":"https://ror.org/03yez3163","country_code":"SA","type":"education","lineage":["https://openalex.org/I134085113"]},{"id":"https://openalex.org/I135310074","display_name":"University of Wisconsin\u2013Madison","ror":"https://ror.org/01y2jtd41","country_code":"US","type":"education","lineage":["https://openalex.org/I135310074"]},{"id":"https://openalex.org/I29680605","display_name":"Morgridge Institute for Research","ror":"https://ror.org/05cb4rb43","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I135310074","https://openalex.org/I29680605"]}],"countries":["SA","US"],"is_corresponding":false,"raw_author_name":"Moayad Alnammi","raw_affiliation_strings":["Department of Computer Sciences, University of Wisconsin\u2212Madison, Madison, Wisconsin 53706, United States","Department of Information and Computer Science, King Fahd University of Petroleum & Minerals, Dhahran 31261, Saudi Arabia","Morgridge Institute for Research, Madison, Wisconsin 53715, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Computer Sciences, University of Wisconsin\u2212Madison, Madison, Wisconsin 53706, United States","institution_ids":["https://openalex.org/I135310074"]},{"raw_affiliation_string":"Department of Information and Computer Science, King Fahd University of Petroleum & Minerals, Dhahran 31261, Saudi Arabia","institution_ids":["https://openalex.org/I134085113"]},{"raw_affiliation_string":"Morgridge Institute for Research, Madison, Wisconsin 53715, United States","institution_ids":["https://openalex.org/I29680605"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5021052785","display_name":"Shengchao Liu","orcid":"https://orcid.org/0000-0003-2030-2367"},"institutions":[{"id":"https://openalex.org/I135310074","display_name":"University of Wisconsin\u2013Madison","ror":"https://ror.org/01y2jtd41","country_code":"US","type":"education","lineage":["https://openalex.org/I135310074"]},{"id":"https://openalex.org/I29680605","display_name":"Morgridge Institute for Research","ror":"https://ror.org/05cb4rb43","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I135310074","https://openalex.org/I29680605"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Shengchao Liu","raw_affiliation_strings":["Department of Computer Sciences, University of Wisconsin\u2212Madison, Madison, Wisconsin 53706, United States","Morgridge Institute for Research, Madison, Wisconsin 53715, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Computer Sciences, University of Wisconsin\u2212Madison, Madison, Wisconsin 53706, United States","institution_ids":["https://openalex.org/I135310074"]},{"raw_affiliation_string":"Morgridge Institute for Research, Madison, Wisconsin 53715, United States","institution_ids":["https://openalex.org/I29680605"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024496300","display_name":"Spencer S. Ericksen","orcid":"https://orcid.org/0000-0003-4907-1160"},"institutions":[{"id":"https://openalex.org/I135310074","display_name":"University of Wisconsin\u2013Madison","ror":"https://ror.org/01y2jtd41","country_code":"US","type":"education","lineage":["https://openalex.org/I135310074"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Spencer S. Ericksen","raw_affiliation_strings":["Small Molecule Screening Facility, University of Wisconsin\u2212Madison, Madison, Wisconsin 53792, United States"],"raw_orcid":"https://orcid.org/0000-0003-4907-1160","affiliations":[{"raw_affiliation_string":"Small Molecule Screening Facility, University of Wisconsin\u2212Madison, Madison, Wisconsin 53792, United States","institution_ids":["https://openalex.org/I135310074"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007900033","display_name":"Gene E. Ananiev","orcid":null},"institutions":[{"id":"https://openalex.org/I135310074","display_name":"University of Wisconsin\u2013Madison","ror":"https://ror.org/01y2jtd41","country_code":"US","type":"education","lineage":["https://openalex.org/I135310074"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Gene E. Ananiev","raw_affiliation_strings":["Small Molecule Screening Facility, University of Wisconsin\u2212Madison, Madison, Wisconsin 53792, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Small Molecule Screening Facility, University of Wisconsin\u2212Madison, Madison, Wisconsin 53792, United States","institution_ids":["https://openalex.org/I135310074"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058139786","display_name":"Andrew F. Voter","orcid":"https://orcid.org/0000-0003-1691-0618"},"institutions":[{"id":"https://openalex.org/I135310074","display_name":"University of Wisconsin\u2013Madison","ror":"https://ror.org/01y2jtd41","country_code":"US","type":"education","lineage":["https://openalex.org/I135310074"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Andrew F. Voter","raw_affiliation_strings":["Department of Biomolecular Chemistry, University of Wisconsin\u2212Madison, Madison, Wisconsin 53706, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biomolecular Chemistry, University of Wisconsin\u2212Madison, Madison, Wisconsin 53706, United States","institution_ids":["https://openalex.org/I135310074"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010967832","display_name":"Song Guo","orcid":"https://orcid.org/0000-0002-3457-4331"},"institutions":[{"id":"https://openalex.org/I135310074","display_name":"University of Wisconsin\u2013Madison","ror":"https://ror.org/01y2jtd41","country_code":"US","type":"education","lineage":["https://openalex.org/I135310074"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Song Guo","raw_affiliation_strings":["Small Molecule Screening Facility, University of Wisconsin\u2212Madison, Madison, Wisconsin 53792, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Small Molecule Screening Facility, University of Wisconsin\u2212Madison, Madison, Wisconsin 53792, United States","institution_ids":["https://openalex.org/I135310074"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075210236","display_name":"James L. Keck","orcid":"https://orcid.org/0000-0002-5961-0220"},"institutions":[{"id":"https://openalex.org/I135310074","display_name":"University of Wisconsin\u2013Madison","ror":"https://ror.org/01y2jtd41","country_code":"US","type":"education","lineage":["https://openalex.org/I135310074"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"James L. Keck","raw_affiliation_strings":["Department of Biomolecular Chemistry, University of Wisconsin\u2212Madison, Madison, Wisconsin 53706, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biomolecular Chemistry, University of Wisconsin\u2212Madison, Madison, Wisconsin 53706, United States","institution_ids":["https://openalex.org/I135310074"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069266537","display_name":"F. Michael Hoffmann","orcid":"https://orcid.org/0000-0002-2770-9656"},"institutions":[{"id":"https://openalex.org/I135310074","display_name":"University of Wisconsin\u2013Madison","ror":"https://ror.org/01y2jtd41","country_code":"US","type":"education","lineage":["https://openalex.org/I135310074"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"F. Michael Hoffmann","raw_affiliation_strings":["McArdle Laboratory for Cancer Research, University of Wisconsin\u2212Madison, Madison, Wisconsin 53705, United States","Small Molecule Screening Facility, University of Wisconsin\u2212Madison, Madison, Wisconsin 53792, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"McArdle Laboratory for Cancer Research, University of Wisconsin\u2212Madison, Madison, Wisconsin 53705, United States","institution_ids":["https://openalex.org/I135310074"]},{"raw_affiliation_string":"Small Molecule Screening Facility, University of Wisconsin\u2212Madison, Madison, Wisconsin 53792, United States","institution_ids":["https://openalex.org/I135310074"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081251881","display_name":"Scott A. Wildman","orcid":"https://orcid.org/0000-0002-8598-0751"},"institutions":[{"id":"https://openalex.org/I135310074","display_name":"University of Wisconsin\u2013Madison","ror":"https://ror.org/01y2jtd41","country_code":"US","type":"education","lineage":["https://openalex.org/I135310074"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Scott A. Wildman","raw_affiliation_strings":["Small Molecule Screening Facility, University of Wisconsin\u2212Madison, Madison, Wisconsin 53792, United States"],"raw_orcid":"https://orcid.org/0000-0002-8598-0751","affiliations":[{"raw_affiliation_string":"Small Molecule Screening Facility, University of Wisconsin\u2212Madison, Madison, Wisconsin 53792, United States","institution_ids":["https://openalex.org/I135310074"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5083286341","display_name":"Anthony Gitter","orcid":"https://orcid.org/0000-0002-5324-9833"},"institutions":[{"id":"https://openalex.org/I135310074","display_name":"University of Wisconsin\u2013Madison","ror":"https://ror.org/01y2jtd41","country_code":"US","type":"education","lineage":["https://openalex.org/I135310074"]},{"id":"https://openalex.org/I29680605","display_name":"Morgridge Institute for Research","ror":"https://ror.org/05cb4rb43","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I135310074","https://openalex.org/I29680605"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Anthony Gitter","raw_affiliation_strings":["Department of Biostatistics and Medical Informatics, University of Wisconsin\u2212Madison, Madison, Wisconsin 53792, United States","Department of Computer Sciences, University of Wisconsin\u2212Madison, Madison, Wisconsin 53706, United States","Morgridge Institute for Research, Madison, Wisconsin 53715, United States"],"raw_orcid":"https://orcid.org/0000-0002-5324-9833","affiliations":[{"raw_affiliation_string":"Department of Biostatistics and Medical Informatics, University of Wisconsin\u2212Madison, Madison, Wisconsin 53792, United States","institution_ids":["https://openalex.org/I135310074"]},{"raw_affiliation_string":"Department of Computer Sciences, University of Wisconsin\u2212Madison, Madison, Wisconsin 53706, United States","institution_ids":["https://openalex.org/I135310074"]},{"raw_affiliation_string":"Morgridge Institute for Research, Madison, Wisconsin 53715, United States","institution_ids":["https://openalex.org/I29680605"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":10,"corresponding_author_ids":["https://openalex.org/A5083286341"],"corresponding_institution_ids":["https://openalex.org/I135310074","https://openalex.org/I29680605"],"apc_list":null,"apc_paid":null,"fwci":3.3005,"has_fulltext":true,"cited_by_count":17,"citation_normalized_percentile":{"value":0.93451587,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":94,"max":99},"biblio":{"volume":"63","issue":"17","first_page":"5513","last_page":"5528"},"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9889000058174133,"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/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.9842000007629395,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/chemical-space","display_name":"Chemical space","score":0.8222192525863647},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.7108968496322632},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.6615319848060608},{"id":"https://openalex.org/keywords/scalability","display_name":"Scalability","score":0.6452783942222595},{"id":"https://openalex.org/keywords/random-forest","display_name":"Random forest","score":0.6325812339782715},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.618701696395874},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.5617797374725342},{"id":"https://openalex.org/keywords/chemical-database","display_name":"Chemical database","score":0.5276008248329163},{"id":"https://openalex.org/keywords/classifier","display_name":"Classifier (UML)","score":0.5253695249557495},{"id":"https://openalex.org/keywords/high-throughput-screening","display_name":"High-throughput screening","score":0.5055136680603027},{"id":"https://openalex.org/keywords/on-demand","display_name":"On demand","score":0.49872851371765137},{"id":"https://openalex.org/keywords/predictive-power","display_name":"Predictive power","score":0.4824710190296173},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.45180147886276245},{"id":"https://openalex.org/keywords/chemical-library","display_name":"Chemical library","score":0.43428346514701843},{"id":"https://openalex.org/keywords/small-molecule","display_name":"Small molecule","score":0.3065779507160187},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.24251559376716614},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.2367517352104187}],"concepts":[{"id":"https://openalex.org/C99726746","wikidata":"https://www.wikidata.org/wiki/Q906396","display_name":"Chemical space","level":3,"score":0.8222192525863647},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.7108968496322632},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.6615319848060608},{"id":"https://openalex.org/C48044578","wikidata":"https://www.wikidata.org/wiki/Q727490","display_name":"Scalability","level":2,"score":0.6452783942222595},{"id":"https://openalex.org/C169258074","wikidata":"https://www.wikidata.org/wiki/Q245748","display_name":"Random forest","level":2,"score":0.6325812339782715},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.618701696395874},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.5617797374725342},{"id":"https://openalex.org/C203394866","wikidata":"https://www.wikidata.org/wiki/Q2881060","display_name":"Chemical database","level":2,"score":0.5276008248329163},{"id":"https://openalex.org/C95623464","wikidata":"https://www.wikidata.org/wiki/Q1096149","display_name":"Classifier (UML)","level":2,"score":0.5253695249557495},{"id":"https://openalex.org/C51323132","wikidata":"https://www.wikidata.org/wiki/Q626251","display_name":"High-throughput screening","level":2,"score":0.5055136680603027},{"id":"https://openalex.org/C2983523559","wikidata":"https://www.wikidata.org/wiki/Q410657","display_name":"On demand","level":2,"score":0.49872851371765137},{"id":"https://openalex.org/C2778136018","wikidata":"https://www.wikidata.org/wiki/Q10350689","display_name":"Predictive power","level":2,"score":0.4824710190296173},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.45180147886276245},{"id":"https://openalex.org/C2779057010","wikidata":"https://www.wikidata.org/wiki/Q2963679","display_name":"Chemical library","level":3,"score":0.43428346514701843},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.3065779507160187},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.24251559376716614},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.2367517352104187},{"id":"https://openalex.org/C111472728","wikidata":"https://www.wikidata.org/wiki/Q9471","display_name":"Epistemology","level":1,"score":0.0},{"id":"https://openalex.org/C49774154","wikidata":"https://www.wikidata.org/wiki/Q131765","display_name":"Multimedia","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/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000069553","descriptor_name":"Supervised Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069553","descriptor_name":"Supervised Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069553","descriptor_name":"Supervised Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069553","descriptor_name":"Supervised Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069553","descriptor_name":"Supervised Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069553","descriptor_name":"Supervised Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","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":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057166","descriptor_name":"High-Throughput Screening Assays","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D057166","descriptor_name":"High-Throughput Screening Assays","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D057166","descriptor_name":"High-Throughput Screening Assays","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D057166","descriptor_name":"High-Throughput Screening Assays","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D057166","descriptor_name":"High-Throughput Screening Assays","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D057166","descriptor_name":"High-Throughput Screening Assays","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.3c00912","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00912","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:37625010","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/37625010","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":"Journal of chemical information and modeling","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:10538940","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/10538940","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC10538940/pdf/ci3c00912.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":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1021/acs.jcim.3c00912","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00912","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G3165085970","display_name":null,"funder_award_id":"U54AI117924","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G3701305488","display_name":null,"funder_award_id":"U54AI117924","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G42679306","display_name":null,"funder_award_id":"P30CA014520","funder_id":"https://openalex.org/F4320337351","funder_display_name":"National Cancer Institute"},{"id":"https://openalex.org/G5689153132","display_name":null,"funder_award_id":"P30CA014520","funder_id":"https://openalex.org/F4320310176","funder_display_name":"University of Wisconsin Carbone Cancer Center"},{"id":"https://openalex.org/G6000965467","display_name":null,"funder_award_id":"R01GM135631","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G6971013811","display_name":null,"funder_award_id":"P30CA014520","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G8032794650","display_name":null,"funder_award_id":"R01GM135631","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G8064610400","display_name":null,"funder_award_id":"P30CA014520","funder_id":"https://openalex.org/F4320309434","funder_display_name":"University of Wisconsin-Madison"}],"funders":[{"id":"https://openalex.org/F4320306555","display_name":"Wisconsin Alumni Research Foundation","ror":"https://ror.org/00hwxbz16"},{"id":"https://openalex.org/F4320309434","display_name":"University of Wisconsin-Madison","ror":"https://ror.org/01y2jtd41"},{"id":"https://openalex.org/F4320309480","display_name":"Nvidia","ror":"https://ror.org/03jdj4y14"},{"id":"https://openalex.org/F4320310176","display_name":"University of Wisconsin Carbone Cancer Center","ror":"https://ror.org/02mqqhj42"},{"id":"https://openalex.org/F4320322323","display_name":"King Fahd University of Petroleum and Minerals","ror":"https://ror.org/03yez3163"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320335743","display_name":"Saudi Arabian Cultural Mission","ror":null},{"id":"https://openalex.org/F4320337351","display_name":"National Cancer Institute","ror":"https://ror.org/040gcmg81"},{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"},{"id":"https://openalex.org/F4320337368","display_name":"Division of Graduate Education","ror":"https://ror.org/00whkrf32"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":78,"referenced_works":["https://openalex.org/W28412257","https://openalex.org/W58105655","https://openalex.org/W1678356000","https://openalex.org/W1984994707","https://openalex.org/W1988037271","https://openalex.org/W1988111902","https://openalex.org/W1990451437","https://openalex.org/W1991001144","https://openalex.org/W2017398555","https://openalex.org/W2031390939","https://openalex.org/W2033757486","https://openalex.org/W2043509228","https://openalex.org/W2045722951","https://openalex.org/W2046128919","https://openalex.org/W2046344452","https://openalex.org/W2053717624","https://openalex.org/W2056881083","https://openalex.org/W2093426296","https://openalex.org/W2100333708","https://openalex.org/W2120240539","https://openalex.org/W2128879247","https://openalex.org/W2148317584","https://openalex.org/W2171830166","https://openalex.org/W2290847742","https://openalex.org/W2295598076","https://openalex.org/W2484065175","https://openalex.org/W2556851635","https://openalex.org/W2567183420","https://openalex.org/W2621020942","https://openalex.org/W2735246657","https://openalex.org/W2771417816","https://openalex.org/W2771732756","https://openalex.org/W2803094965","https://openalex.org/W2806547269","https://openalex.org/W2810711993","https://openalex.org/W2889555425","https://openalex.org/W2899587428","https://openalex.org/W2911964244","https://openalex.org/W2912171584","https://openalex.org/W2920995682","https://openalex.org/W2921262115","https://openalex.org/W2940242941","https://openalex.org/W2949923262","https://openalex.org/W2981514797","https://openalex.org/W2983225234","https://openalex.org/W3004731690","https://openalex.org/W3004732066","https://openalex.org/W3007309629","https://openalex.org/W3010016408","https://openalex.org/W3012320348","https://openalex.org/W3023042104","https://openalex.org/W3034612930","https://openalex.org/W3043660595","https://openalex.org/W3082629377","https://openalex.org/W3094640617","https://openalex.org/W3100157108","https://openalex.org/W3104508774","https://openalex.org/W3108778136","https://openalex.org/W3109087942","https://openalex.org/W3112474878","https://openalex.org/W3113150977","https://openalex.org/W3126785626","https://openalex.org/W3138526880","https://openalex.org/W3159598019","https://openalex.org/W3193127957","https://openalex.org/W4200233821","https://openalex.org/W4212883601","https://openalex.org/W4223920159","https://openalex.org/W4254278957","https://openalex.org/W4307722378","https://openalex.org/W4309923193","https://openalex.org/W4310603653","https://openalex.org/W4313703134","https://openalex.org/W4320857994","https://openalex.org/W4367049415","https://openalex.org/W4378212018","https://openalex.org/W6610423178","https://openalex.org/W6907225408"],"related_works":["https://openalex.org/W4396519821","https://openalex.org/W3209805961","https://openalex.org/W4391015230","https://openalex.org/W4400460710","https://openalex.org/W2676236916","https://openalex.org/W2520588963","https://openalex.org/W2026053775","https://openalex.org/W4385875358","https://openalex.org/W4388448796","https://openalex.org/W4296794490"],"abstract_inverted_index":{"value":[0],"of":[1],"1.3":[2],"\u03bcM.":[3]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":5},{"year":2024,"cited_by_count":8},{"year":2023,"cited_by_count":2}],"updated_date":"2026-05-02T08:42:23.175194","created_date":"2025-10-10T00:00:00"}
