{"id":"https://openalex.org/W4393097303","doi":"https://doi.org/10.1038/s42256-024-00809-7","title":"Generative AI for designing and validating easily synthesizable and structurally novel antibiotics","display_name":"Generative AI for designing and validating easily synthesizable and structurally novel antibiotics","publication_year":2024,"publication_date":"2024-03-22","ids":{"openalex":"https://openalex.org/W4393097303","doi":"https://doi.org/10.1038/s42256-024-00809-7"},"language":"en","primary_location":{"id":"doi:10.1038/s42256-024-00809-7","is_oa":false,"landing_page_url":"https://doi.org/10.1038/s42256-024-00809-7","pdf_url":null,"source":{"id":"https://openalex.org/S2912241403","display_name":"Nature Machine Intelligence","issn_l":"2522-5839","issn":["2522-5839"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nature Machine Intelligence","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"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/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":false,"raw_author_name":"Kyle Swanson","raw_affiliation_strings":["Department of Computer Science, Stanford University, Stanford, CA, USA"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science, Stanford University, Stanford, CA, USA","institution_ids":["https://openalex.org/I97018004"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5062558077","display_name":"Gary Liu","orcid":"https://orcid.org/0000-0002-7712-068X"},"institutions":[{"id":"https://openalex.org/I98251732","display_name":"McMaster University","ror":"https://ror.org/02fa3aq29","country_code":"CA","type":"education","lineage":["https://openalex.org/I98251732"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Gary Liu","raw_affiliation_strings":["Department of Biochemistry and Biomedical Sciences, Michael G. DeGroote Institute for Infectious Disease Research, David Braley Centre for Antibiotic Discovery, McMaster University, Hamilton, Ontario, Canada"],"affiliations":[{"raw_affiliation_string":"Department of Biochemistry and Biomedical Sciences, Michael G. DeGroote Institute for Infectious Disease Research, David Braley Centre for Antibiotic Discovery, McMaster University, Hamilton, Ontario, Canada","institution_ids":["https://openalex.org/I98251732"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5104754722","display_name":"Denise B. Catacutan","orcid":null},"institutions":[{"id":"https://openalex.org/I98251732","display_name":"McMaster University","ror":"https://ror.org/02fa3aq29","country_code":"CA","type":"education","lineage":["https://openalex.org/I98251732"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Denise B. Catacutan","raw_affiliation_strings":["Department of Biochemistry and Biomedical Sciences, Michael G. DeGroote Institute for Infectious Disease Research, David Braley Centre for Antibiotic Discovery, McMaster University, Hamilton, Ontario, Canada"],"affiliations":[{"raw_affiliation_string":"Department of Biochemistry and Biomedical Sciences, Michael G. DeGroote Institute for Infectious Disease Research, David Braley Centre for Antibiotic Discovery, McMaster University, Hamilton, Ontario, Canada","institution_ids":["https://openalex.org/I98251732"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102639353","display_name":"Autumn Arnold","orcid":null},"institutions":[{"id":"https://openalex.org/I98251732","display_name":"McMaster University","ror":"https://ror.org/02fa3aq29","country_code":"CA","type":"education","lineage":["https://openalex.org/I98251732"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Autumn Arnold","raw_affiliation_strings":["Department of Biochemistry and Biomedical Sciences, Michael G. DeGroote Institute for Infectious Disease Research, David Braley Centre for Antibiotic Discovery, McMaster University, Hamilton, Ontario, Canada"],"affiliations":[{"raw_affiliation_string":"Department of Biochemistry and Biomedical Sciences, Michael G. DeGroote Institute for Infectious Disease Research, David Braley Centre for Antibiotic Discovery, McMaster University, Hamilton, Ontario, Canada","institution_ids":["https://openalex.org/I98251732"]}]},{"author_position":"middle","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, Stanford, CA, USA","Department of Computer Science, Stanford University, Stanford, CA, USA"],"affiliations":[{"raw_affiliation_string":"Department of Biomedical Data Science, Stanford University, Stanford, CA, USA","institution_ids":["https://openalex.org/I97018004"]},{"raw_affiliation_string":"Department of Computer Science, Stanford University, Stanford, CA, USA","institution_ids":["https://openalex.org/I97018004"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5071072837","display_name":"J Stokes","orcid":"https://orcid.org/0009-0001-8378-2380"},"institutions":[{"id":"https://openalex.org/I98251732","display_name":"McMaster University","ror":"https://ror.org/02fa3aq29","country_code":"CA","type":"education","lineage":["https://openalex.org/I98251732"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Jonathan M. Stokes","raw_affiliation_strings":["Department of Biochemistry and Biomedical Sciences, Michael G. DeGroote Institute for Infectious Disease Research, David Braley Centre for Antibiotic Discovery, McMaster University, Hamilton, Ontario, Canada"],"affiliations":[{"raw_affiliation_string":"Department of Biochemistry and Biomedical Sciences, Michael G. DeGroote Institute for Infectious Disease Research, David Braley Centre for Antibiotic Discovery, McMaster University, Hamilton, Ontario, Canada","institution_ids":["https://openalex.org/I98251732"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5005779176"],"corresponding_institution_ids":["https://openalex.org/I97018004"],"apc_list":{"value":9750,"currency":"EUR","value_usd":11690},"apc_paid":null,"fwci":49.0826,"has_fulltext":false,"cited_by_count":136,"citation_normalized_percentile":{"value":0.99940904,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"6","issue":"3","first_page":"338","last_page":"353"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9991999864578247,"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":0.9991999864578247,"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/T11407","display_name":"Innovative Microfluidic and Catalytic Techniques Innovation","score":0.9865000247955322,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.986299991607666,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6267303228378296},{"id":"https://openalex.org/keywords/generative-grammar","display_name":"Generative grammar","score":0.5688359141349792},{"id":"https://openalex.org/keywords/antibiotics","display_name":"Antibiotics","score":0.49199602007865906},{"id":"https://openalex.org/keywords/computer-architecture","display_name":"Computer architecture","score":0.3944157361984253},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.2809164524078369},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.1297565996646881},{"id":"https://openalex.org/keywords/microbiology","display_name":"Microbiology","score":0.10497570037841797}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6267303228378296},{"id":"https://openalex.org/C39890363","wikidata":"https://www.wikidata.org/wiki/Q36108","display_name":"Generative grammar","level":2,"score":0.5688359141349792},{"id":"https://openalex.org/C501593827","wikidata":"https://www.wikidata.org/wiki/Q12187","display_name":"Antibiotics","level":2,"score":0.49199602007865906},{"id":"https://openalex.org/C118524514","wikidata":"https://www.wikidata.org/wiki/Q173212","display_name":"Computer architecture","level":1,"score":0.3944157361984253},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2809164524078369},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.1297565996646881},{"id":"https://openalex.org/C89423630","wikidata":"https://www.wikidata.org/wiki/Q7193","display_name":"Microbiology","level":1,"score":0.10497570037841797}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1038/s42256-024-00809-7","is_oa":false,"landing_page_url":"https://doi.org/10.1038/s42256-024-00809-7","pdf_url":null,"source":{"id":"https://openalex.org/S2912241403","display_name":"Nature Machine Intelligence","issn_l":"2522-5839","issn":["2522-5839"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nature Machine Intelligence","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G622428228","display_name":null,"funder_award_id":"495904","funder_id":"https://openalex.org/F4320334506","funder_display_name":"Canadian Institutes of Health Research"}],"funders":[{"id":"https://openalex.org/F4320334506","display_name":"Canadian Institutes of Health Research","ror":"https://ror.org/01gavpb45"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":59,"referenced_works":["https://openalex.org/W1625390266","https://openalex.org/W1714211023","https://openalex.org/W1988037271","https://openalex.org/W1998063413","https://openalex.org/W2059975159","https://openalex.org/W2066273100","https://openalex.org/W2075476726","https://openalex.org/W2105838577","https://openalex.org/W2120061656","https://openalex.org/W2124347560","https://openalex.org/W2164365808","https://openalex.org/W2168519960","https://openalex.org/W2257979135","https://openalex.org/W2412446857","https://openalex.org/W2529996553","https://openalex.org/W2562261325","https://openalex.org/W2594183968","https://openalex.org/W2594303706","https://openalex.org/W2604527271","https://openalex.org/W2747592475","https://openalex.org/W2757377089","https://openalex.org/W2763220183","https://openalex.org/W2779019546","https://openalex.org/W2798613236","https://openalex.org/W2900090807","https://openalex.org/W2911964244","https://openalex.org/W2955166533","https://openalex.org/W2966357564","https://openalex.org/W2968071222","https://openalex.org/W2970971581","https://openalex.org/W2992929975","https://openalex.org/W3003906593","https://openalex.org/W3007309629","https://openalex.org/W3009321976","https://openalex.org/W3014154196","https://openalex.org/W3019734328","https://openalex.org/W3045928028","https://openalex.org/W3048752454","https://openalex.org/W3050693196","https://openalex.org/W3092705559","https://openalex.org/W3106536628","https://openalex.org/W3126767825","https://openalex.org/W3160021293","https://openalex.org/W3194368700","https://openalex.org/W3197063311","https://openalex.org/W3211688917","https://openalex.org/W4200233821","https://openalex.org/W4206677002","https://openalex.org/W4220798957","https://openalex.org/W4291396330","https://openalex.org/W4303431765","https://openalex.org/W4305082653","https://openalex.org/W4307361029","https://openalex.org/W4307447012","https://openalex.org/W4308756095","https://openalex.org/W4378212018","https://openalex.org/W4393729303","https://openalex.org/W6675354045","https://openalex.org/W6967328777"],"related_works":["https://openalex.org/W2748952813","https://openalex.org/W2380075625","https://openalex.org/W2390279801","https://openalex.org/W2358668433","https://openalex.org/W2351037592","https://openalex.org/W2376932109","https://openalex.org/W2001405890","https://openalex.org/W2351703320","https://openalex.org/W2382290278","https://openalex.org/W2478288626"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":21},{"year":2025,"cited_by_count":84},{"year":2024,"cited_by_count":31}],"updated_date":"2026-04-01T17:29:45.350535","created_date":"2025-10-10T00:00:00"}
