{"id":"https://openalex.org/W4385798788","doi":"https://doi.org/10.1021/acs.jcim.3c00588","title":"Building Block-Based Binding Predictions for DNA-Encoded Libraries","display_name":"Building Block-Based Binding Predictions for DNA-Encoded Libraries","publication_year":2023,"publication_date":"2023-08-14","ids":{"openalex":"https://openalex.org/W4385798788","doi":"https://doi.org/10.1021/acs.jcim.3c00588","pmid":"https://pubmed.ncbi.nlm.nih.gov/37578123"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.3c00588","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00588","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.3c00588","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5002845790","display_name":"Chris Zhang","orcid":"https://orcid.org/0000-0002-7298-7145"},"institutions":[{"id":"https://openalex.org/I204250578","display_name":"University of California, Irvine","ror":"https://ror.org/04gyf1771","country_code":"US","type":"education","lineage":["https://openalex.org/I204250578"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Chris Zhang","raw_affiliation_strings":["Department of Chemistry, University of California, Irvine, 1120 Natural Sciences II, Irvine, California 92697, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of California, Irvine, 1120 Natural Sciences II, Irvine, California 92697, United States","institution_ids":["https://openalex.org/I204250578"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5023064807","display_name":"Mary Pitman","orcid":"https://orcid.org/0000-0002-2613-5769"},"institutions":[{"id":"https://openalex.org/I204250578","display_name":"University of California, Irvine","ror":"https://ror.org/04gyf1771","country_code":"US","type":"education","lineage":["https://openalex.org/I204250578"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Mary Pitman","raw_affiliation_strings":["Department of Pharmaceutical Sciences, University of California, Irvine, 856 Health Sciences Road, Irvine, California 92697, United States"],"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, University of California, Irvine, 856 Health Sciences Road, Irvine, California 92697, United States","institution_ids":["https://openalex.org/I204250578"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060372363","display_name":"Anjali Dixit","orcid":"https://orcid.org/0000-0002-4997-8005"},"institutions":[{"id":"https://openalex.org/I204250578","display_name":"University of California, Irvine","ror":"https://ror.org/04gyf1771","country_code":"US","type":"education","lineage":["https://openalex.org/I204250578"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Anjali Dixit","raw_affiliation_strings":["Department of Pharmaceutical Sciences, University of California, Irvine, 856 Health Sciences Road, Irvine, California 92697, United States"],"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, University of California, Irvine, 856 Health Sciences Road, Irvine, California 92697, United States","institution_ids":["https://openalex.org/I204250578"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072961886","display_name":"Sumudu P. Leelananda","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Sumudu Leelananda","raw_affiliation_strings":["Anagenex, 20 Maguire Road Suite 302, Lexington, Massachusetts 02421, United States"],"affiliations":[{"raw_affiliation_string":"Anagenex, 20 Maguire Road Suite 302, Lexington, Massachusetts 02421, United States","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5078151380","display_name":"Henri Palacci","orcid":"https://orcid.org/0000-0002-0542-9928"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Henri Palacci","raw_affiliation_strings":["Anagenex, 20 Maguire Road Suite 302, Lexington, Massachusetts 02421, United States"],"affiliations":[{"raw_affiliation_string":"Anagenex, 20 Maguire Road Suite 302, Lexington, Massachusetts 02421, United States","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059590612","display_name":"Meghan Lawler","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Meghan Lawler","raw_affiliation_strings":["Anagenex, 20 Maguire Road Suite 302, Lexington, Massachusetts 02421, United States"],"affiliations":[{"raw_affiliation_string":"Anagenex, 20 Maguire Road Suite 302, Lexington, Massachusetts 02421, United States","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5030445237","display_name":"Svetlana Belyanskaya","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Svetlana Belyanskaya","raw_affiliation_strings":["Anagenex, 20 Maguire Road Suite 302, Lexington, Massachusetts 02421, United States"],"affiliations":[{"raw_affiliation_string":"Anagenex, 20 Maguire Road Suite 302, Lexington, Massachusetts 02421, United States","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028720371","display_name":"LaShadric Grady","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"LaShadric Grady","raw_affiliation_strings":["Anagenex, 20 Maguire Road Suite 302, Lexington, Massachusetts 02421, United States"],"affiliations":[{"raw_affiliation_string":"Anagenex, 20 Maguire Road Suite 302, Lexington, Massachusetts 02421, United States","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110301983","display_name":"Joe Franklin","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Joe Franklin","raw_affiliation_strings":["Anagenex, 20 Maguire Road Suite 302, Lexington, Massachusetts 02421, United States"],"affiliations":[{"raw_affiliation_string":"Anagenex, 20 Maguire Road Suite 302, Lexington, Massachusetts 02421, United States","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016426771","display_name":"Nicolas Tilmans","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Nicolas Tilmans","raw_affiliation_strings":["Anagenex, 20 Maguire Road Suite 302, Lexington, Massachusetts 02421, United States"],"affiliations":[{"raw_affiliation_string":"Anagenex, 20 Maguire Road Suite 302, Lexington, Massachusetts 02421, United States","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5007496868","display_name":"David L. Mobley","orcid":"https://orcid.org/0000-0002-1083-5533"},"institutions":[{"id":"https://openalex.org/I204250578","display_name":"University of California, Irvine","ror":"https://ror.org/04gyf1771","country_code":"US","type":"education","lineage":["https://openalex.org/I204250578"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"David L. Mobley","raw_affiliation_strings":["Department of Chemistry, University of California, Irvine, 1120 Natural Sciences II, Irvine, California 92697, United States","Department of Pharmaceutical Sciences, University of California, Irvine, 856 Health Sciences Road, Irvine, California 92697, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of California, Irvine, 1120 Natural Sciences II, Irvine, California 92697, United States","institution_ids":["https://openalex.org/I204250578"]},{"raw_affiliation_string":"Department of Pharmaceutical Sciences, University of California, Irvine, 856 Health Sciences Road, Irvine, California 92697, United States","institution_ids":["https://openalex.org/I204250578"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":11,"corresponding_author_ids":["https://openalex.org/A5007496868"],"corresponding_institution_ids":["https://openalex.org/I204250578"],"apc_list":null,"apc_paid":null,"fwci":1.9669,"has_fulltext":true,"cited_by_count":13,"citation_normalized_percentile":{"value":0.86372164,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":98,"max":99},"biblio":{"volume":"63","issue":"16","first_page":"5120","last_page":"5132"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9936000108718872,"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"}},"topics":[{"id":"https://openalex.org/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9936000108718872,"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/T10404","display_name":"Enzyme Catalysis and Immobilization","score":0.9909999966621399,"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/T11440","display_name":"Click Chemistry and Applications","score":0.989799976348877,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7501493692398071},{"id":"https://openalex.org/keywords/workflow","display_name":"Workflow","score":0.7261683344841003},{"id":"https://openalex.org/keywords/block","display_name":"Block (permutation group theory)","score":0.5853006839752197},{"id":"https://openalex.org/keywords/inference","display_name":"Inference","score":0.5620978474617004},{"id":"https://openalex.org/keywords/noise","display_name":"Noise (video)","score":0.5487903952598572},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.5317550897598267},{"id":"https://openalex.org/keywords/informatics","display_name":"Informatics","score":0.5166102051734924},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.4890778660774231},{"id":"https://openalex.org/keywords/process","display_name":"Process (computing)","score":0.48181191086769104},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.44130992889404297},{"id":"https://openalex.org/keywords/selection","display_name":"Selection (genetic algorithm)","score":0.4140089750289917},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.37937480211257935},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.330838680267334},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.172186940908432},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.16912171244621277},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.1155884861946106},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.08411958813667297},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.07843685150146484}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7501493692398071},{"id":"https://openalex.org/C177212765","wikidata":"https://www.wikidata.org/wiki/Q627335","display_name":"Workflow","level":2,"score":0.7261683344841003},{"id":"https://openalex.org/C2777210771","wikidata":"https://www.wikidata.org/wiki/Q4927124","display_name":"Block (permutation group theory)","level":2,"score":0.5853006839752197},{"id":"https://openalex.org/C2776214188","wikidata":"https://www.wikidata.org/wiki/Q408386","display_name":"Inference","level":2,"score":0.5620978474617004},{"id":"https://openalex.org/C99498987","wikidata":"https://www.wikidata.org/wiki/Q2210247","display_name":"Noise (video)","level":3,"score":0.5487903952598572},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.5317550897598267},{"id":"https://openalex.org/C191630685","wikidata":"https://www.wikidata.org/wiki/Q4027615","display_name":"Informatics","level":2,"score":0.5166102051734924},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.4890778660774231},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.48181191086769104},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.44130992889404297},{"id":"https://openalex.org/C81917197","wikidata":"https://www.wikidata.org/wiki/Q628760","display_name":"Selection (genetic algorithm)","level":2,"score":0.4140089750289917},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.37937480211257935},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.330838680267334},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.172186940908432},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.16912171244621277},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.1155884861946106},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.08411958813667297},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.07843685150146484},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.0},{"id":"https://openalex.org/C119599485","wikidata":"https://www.wikidata.org/wiki/Q43035","display_name":"Electrical engineering","level":1,"score":0.0},{"id":"https://openalex.org/C115961682","wikidata":"https://www.wikidata.org/wiki/Q860623","display_name":"Image (mathematics)","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004247","descriptor_name":"DNA","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004247","descriptor_name":"DNA","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004247","descriptor_name":"DNA","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":true},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":4,"locations":[{"id":"doi:10.1021/acs.jcim.3c00588","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00588","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:37578123","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/37578123","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:escholarship.org:ark:/13030/qt02p387r6","is_oa":true,"landing_page_url":"https://escholarship.org/uc/item/02p387r6","pdf_url":"https://escholarship.org/content/qt02p387r6/qt02p387r6.pdf","source":{"id":"https://openalex.org/S4306400115","display_name":"eScholarship (California Digital Library)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I2801248553","host_organization_name":"California Digital Library","host_organization_lineage":["https://openalex.org/I2801248553"],"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":"Journal of Chemical Information and Modeling, vol 63, iss 16","raw_type":"article"},{"id":"pmh:oai:pubmedcentral.nih.gov:10466377","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/10466377","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC10466377/pdf/ci3c00588.pdf","source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","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":"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.3c00588","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00588","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/G26676669","display_name":null,"funder_award_id":"R35GM148236","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G6536210048","display_name":null,"funder_award_id":"R01GM108889","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"}],"funders":[{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":42,"referenced_works":["https://openalex.org/W151377110","https://openalex.org/W1605923270","https://openalex.org/W1968753037","https://openalex.org/W1976526581","https://openalex.org/W2017005730","https://openalex.org/W2017423606","https://openalex.org/W2023550615","https://openalex.org/W2027065525","https://openalex.org/W2038114311","https://openalex.org/W2044834685","https://openalex.org/W2060153789","https://openalex.org/W2075824725","https://openalex.org/W2154039449","https://openalex.org/W2156077095","https://openalex.org/W2321971765","https://openalex.org/W2342249984","https://openalex.org/W2344864259","https://openalex.org/W2472992307","https://openalex.org/W2479343091","https://openalex.org/W2560677837","https://openalex.org/W2562376843","https://openalex.org/W2592709654","https://openalex.org/W2595526189","https://openalex.org/W2601243251","https://openalex.org/W2603020828","https://openalex.org/W2789688845","https://openalex.org/W2789832072","https://openalex.org/W2889326414","https://openalex.org/W2902652978","https://openalex.org/W2981109304","https://openalex.org/W3034612930","https://openalex.org/W3035028838","https://openalex.org/W3041242936","https://openalex.org/W3086590651","https://openalex.org/W3092211024","https://openalex.org/W3159654952","https://openalex.org/W3159993655","https://openalex.org/W3166642179","https://openalex.org/W3196507771","https://openalex.org/W4213333721","https://openalex.org/W4319656129","https://openalex.org/W4366463915"],"related_works":["https://openalex.org/W2961085424","https://openalex.org/W2081035100","https://openalex.org/W4306674287","https://openalex.org/W3206324740","https://openalex.org/W4224009465","https://openalex.org/W2497175360","https://openalex.org/W4286629047","https://openalex.org/W4306321456","https://openalex.org/W4285260836","https://openalex.org/W2355215981"],"abstract_inverted_index":{"DNA-encoded":[0],"libraries":[1,137],"(DELs)":[2],"provide":[3,183],"the":[4,36,86,109,112],"means":[5],"to":[6,42,47,61,68,78,196],"make":[7],"and":[8,144],"screen":[9],"millions":[10],"of":[11,17,28,58,98,115,121,134,147,152],"diverse":[12],"compounds":[13,100],"against":[14,139,173],"a":[15,20,32,56,106,132,159,169,184],"target":[16],"interest":[18],"in":[19,199],"single":[21],"experiment.":[22],"However,":[23],"despite":[24],"producing":[25],"large":[26],"volumes":[27],"binding":[29],"data":[30,63],"at":[31],"relatively":[33],"low":[34],"cost,":[35],"DEL":[37,66,179,202],"selection":[38],"process":[39],"is":[40,119],"susceptible":[41],"noise,":[43],"necessitating":[44],"computational":[45],"follow-up":[46],"increase":[48],"signal-to-noise":[49],"ratios.":[50],"In":[51],"this":[52,190],"work,":[53],"we":[54,182,188],"present":[55],"set":[57,133],"informatics":[59,191],"tools":[60],"employ":[62],"from":[64,108],"prior":[65],"screen(s)":[67],"gain":[69],"information":[70],"about":[71],"which":[72],"building":[73,93,117],"blocks":[74,94,118],"are":[75],"most":[76],"likely":[77],"be":[79,194],"productive":[80],"when":[81],"designing":[82],"new":[83],"DELs":[84],"for":[85,171],"same":[87],"target.":[88],"We":[89,103,127],"demonstrate":[90],"that":[91,101,111,163],"similar":[92,96],"have":[95],"probabilities":[97],"forming":[99],"bind.":[102],"then":[104],"build":[105],"model":[107,165],"inference":[110],"combined":[113],"behavior":[114],"individual":[116],"predictive":[120],"whether":[122],"an":[123,150],"overall":[124],"compound":[125],"binds.":[126],"illustrate":[128],"our":[129,164],"approach":[130],"on":[131,158,178,186],"three-cycle":[135],"OpenDEL":[136],"screened":[138],"soluble":[140],"epoxide":[141],"hydrolase":[142],"(sEH)":[143],"report":[145],"performance":[146],"more":[148],"than":[149,155],"order":[151],"magnitude":[153],"greater":[154],"random":[156],"guessing":[157],"holdout":[160],"set,":[161],"demonstrating":[162],"can":[166],"serve":[167],"as":[168],"baseline":[170],"comparison":[172],"other":[174],"machine":[175],"learning":[176],"models":[177],"data.":[180],"Lastly,":[181],"discussion":[185],"how":[187],"believe":[189],"workflow":[192],"could":[193],"applied":[195],"benefit":[197],"researchers":[198],"their":[200],"specific":[201],"campaigns.":[203]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":5},{"year":2024,"cited_by_count":5}],"updated_date":"2026-04-16T15:07:20.185449","created_date":"2025-10-10T00:00:00"}