{"id":"https://openalex.org/W4389991792","doi":"https://doi.org/10.1038/s41586-023-06792-0","title":"Autonomous chemical research with large language models","display_name":"Autonomous chemical research with large language models","publication_year":2023,"publication_date":"2023-12-20","ids":{"openalex":"https://openalex.org/W4389991792","doi":"https://doi.org/10.1038/s41586-023-06792-0","pmid":"https://pubmed.ncbi.nlm.nih.gov/38123806"},"language":"en","primary_location":{"id":"doi:10.1038/s41586-023-06792-0","is_oa":true,"landing_page_url":"https://doi.org/10.1038/s41586-023-06792-0","pdf_url":"https://www.nature.com/articles/s41586-023-06792-0.pdf","source":{"id":"https://openalex.org/S137773608","display_name":"Nature","issn_l":"0028-0836","issn":["0028-0836","1476-4687"],"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nature","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://www.nature.com/articles/s41586-023-06792-0.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5065327102","display_name":"Daniil A. Boiko","orcid":"https://orcid.org/0000-0003-4140-4645"},"institutions":[{"id":"https://openalex.org/I74973139","display_name":"Carnegie Mellon University","ror":"https://ror.org/05x2bcf33","country_code":"US","type":"education","lineage":["https://openalex.org/I74973139"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Daniil A. Boiko","raw_affiliation_strings":["Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, PA, USA"],"raw_orcid":"https://orcid.org/0000-0003-4140-4645","affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, PA, USA","institution_ids":["https://openalex.org/I74973139"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060793099","display_name":"Robert MacKnight","orcid":null},"institutions":[{"id":"https://openalex.org/I74973139","display_name":"Carnegie Mellon University","ror":"https://ror.org/05x2bcf33","country_code":"US","type":"education","lineage":["https://openalex.org/I74973139"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Robert MacKnight","raw_affiliation_strings":["Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, PA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, PA, USA","institution_ids":["https://openalex.org/I74973139"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004653421","display_name":"Ben Kline","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Ben Kline","raw_affiliation_strings":["Emerald Cloud Lab, South San Francisco, CA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Emerald Cloud Lab, South San Francisco, CA, USA","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5048633127","display_name":"Gabriel dos Passos Gomes","orcid":"https://orcid.org/0000-0002-8235-5969"},"institutions":[{"id":"https://openalex.org/I74973139","display_name":"Carnegie Mellon University","ror":"https://ror.org/05x2bcf33","country_code":"US","type":"education","lineage":["https://openalex.org/I74973139"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Gabe Gomes","raw_affiliation_strings":["Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, PA, USA. gabegomes@cmu.edu","Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA, USA. gabegomes@cmu.edu","Wilton E. Scott Institute for Energy Innovation, Carnegie Mellon University, Pittsburgh, PA, USA. gabegomes@cmu.edu","Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA, USA"],"raw_orcid":"https://orcid.org/0000-0002-8235-5969","affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, PA, USA. gabegomes@cmu.edu","institution_ids":["https://openalex.org/I74973139"]},{"raw_affiliation_string":"Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA, USA. gabegomes@cmu.edu","institution_ids":["https://openalex.org/I74973139"]},{"raw_affiliation_string":"Wilton E. Scott Institute for Energy Innovation, Carnegie Mellon University, Pittsburgh, PA, USA. gabegomes@cmu.edu","institution_ids":["https://openalex.org/I74973139"]},{"raw_affiliation_string":"Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA, USA","institution_ids":["https://openalex.org/I74973139"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5048633127"],"corresponding_institution_ids":["https://openalex.org/I74973139"],"apc_list":{"value":9750,"currency":"EUR","value_usd":11690},"apc_paid":{"value":9750,"currency":"EUR","value_usd":11690},"fwci":70.9948,"has_fulltext":true,"cited_by_count":816,"citation_normalized_percentile":{"value":0.99995146,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":100},"biblio":{"volume":"624","issue":"7992","first_page":"570","last_page":"578"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9998000264167786,"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"}},"topics":[{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9998000264167786,"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/T12808","display_name":"Ferroelectric and Negative Capacitance Devices","score":0.9814000129699707,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic 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/T11407","display_name":"Innovative Microfluidic and Catalytic Techniques Innovation","score":0.9736999869346619,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7491552829742432},{"id":"https://openalex.org/keywords/documentation","display_name":"Documentation","score":0.6299862861633301},{"id":"https://openalex.org/keywords/automation","display_name":"Automation","score":0.5485549569129944},{"id":"https://openalex.org/keywords/transformer","display_name":"Transformer","score":0.5314183235168457},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.4668391942977905},{"id":"https://openalex.org/keywords/the-internet","display_name":"The Internet","score":0.450673371553421},{"id":"https://openalex.org/keywords/natural-language","display_name":"Natural language","score":0.44993144273757935},{"id":"https://openalex.org/keywords/software-engineering","display_name":"Software engineering","score":0.44717642664909363},{"id":"https://openalex.org/keywords/natural-language-understanding","display_name":"Natural language understanding","score":0.4117688238620758},{"id":"https://openalex.org/keywords/human\u2013computer-interaction","display_name":"Human\u2013computer interaction","score":0.3484974503517151},{"id":"https://openalex.org/keywords/systems-engineering","display_name":"Systems engineering","score":0.3265610337257385},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.2841845154762268},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.17139098048210144},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.11686700582504272}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7491552829742432},{"id":"https://openalex.org/C56666940","wikidata":"https://www.wikidata.org/wiki/Q788790","display_name":"Documentation","level":2,"score":0.6299862861633301},{"id":"https://openalex.org/C115901376","wikidata":"https://www.wikidata.org/wiki/Q184199","display_name":"Automation","level":2,"score":0.5485549569129944},{"id":"https://openalex.org/C66322947","wikidata":"https://www.wikidata.org/wiki/Q11658","display_name":"Transformer","level":3,"score":0.5314183235168457},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.4668391942977905},{"id":"https://openalex.org/C110875604","wikidata":"https://www.wikidata.org/wiki/Q75","display_name":"The Internet","level":2,"score":0.450673371553421},{"id":"https://openalex.org/C195324797","wikidata":"https://www.wikidata.org/wiki/Q33742","display_name":"Natural language","level":2,"score":0.44993144273757935},{"id":"https://openalex.org/C115903868","wikidata":"https://www.wikidata.org/wiki/Q80993","display_name":"Software engineering","level":1,"score":0.44717642664909363},{"id":"https://openalex.org/C2779439875","wikidata":"https://www.wikidata.org/wiki/Q1078276","display_name":"Natural language understanding","level":3,"score":0.4117688238620758},{"id":"https://openalex.org/C107457646","wikidata":"https://www.wikidata.org/wiki/Q207434","display_name":"Human\u2013computer interaction","level":1,"score":0.3484974503517151},{"id":"https://openalex.org/C201995342","wikidata":"https://www.wikidata.org/wiki/Q682496","display_name":"Systems engineering","level":1,"score":0.3265610337257385},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.2841845154762268},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.17139098048210144},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.11686700582504272},{"id":"https://openalex.org/C78519656","wikidata":"https://www.wikidata.org/wiki/Q101333","display_name":"Mechanical engineering","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/C165801399","wikidata":"https://www.wikidata.org/wiki/Q25428","display_name":"Voltage","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001331","descriptor_name":"Automation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002384","descriptor_name":"Catalysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004282","descriptor_name":"Documentation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011211","descriptor_name":"Electric Power Supplies","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1038/s41586-023-06792-0","is_oa":true,"landing_page_url":"https://doi.org/10.1038/s41586-023-06792-0","pdf_url":"https://www.nature.com/articles/s41586-023-06792-0.pdf","source":{"id":"https://openalex.org/S137773608","display_name":"Nature","issn_l":"0028-0836","issn":["0028-0836","1476-4687"],"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nature","raw_type":"journal-article"},{"id":"pmid:38123806","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38123806","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":"Nature","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:10733136","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/10733136","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC10733136/pdf/41586_2023_Article_6792.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":"Nature","raw_type":"Text"},{"id":"pmh:oai:RePEc:nat:nature:v:624:y:2023:i:7992:d:10.1038_s41586-023-06792-0","is_oa":false,"landing_page_url":"https://www.nature.com/articles/s41586-023-06792-0","pdf_url":null,"source":{"id":"https://openalex.org/S4306401271","display_name":"RePEc: Research Papers in Economics","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I77793887","host_organization_name":"Federal Reserve Bank of St. Louis","host_organization_lineage":["https://openalex.org/I77793887"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article"}],"best_oa_location":{"id":"doi:10.1038/s41586-023-06792-0","is_oa":true,"landing_page_url":"https://doi.org/10.1038/s41586-023-06792-0","pdf_url":"https://www.nature.com/articles/s41586-023-06792-0.pdf","source":{"id":"https://openalex.org/S137773608","display_name":"Nature","issn_l":"0028-0836","issn":["0028-0836","1476-4687"],"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nature","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/4","score":0.8199999928474426,"display_name":"Quality Education"}],"awards":[{"id":"https://openalex.org/G2712916420","display_name":"CCI Phase I: NSF Center for Chemoenzymatic Synthesis","funder_award_id":"2221346","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G356514451","display_name":"NSF Center for Computer-Assisted Synthesis","funder_award_id":"2202693","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320310207","display_name":"Carnegie Mellon University","ror":"https://ror.org/05x2bcf33"}],"has_content":{"pdf":true,"grobid_xml":false},"content_urls":{"pdf":"https://content.openalex.org/works/W4389991792.pdf"},"referenced_works_count":37,"referenced_works":["https://openalex.org/W1991678929","https://openalex.org/W2334592091","https://openalex.org/W2784918212","https://openalex.org/W2785942661","https://openalex.org/W2830440988","https://openalex.org/W2968071222","https://openalex.org/W2998702515","https://openalex.org/W3023843058","https://openalex.org/W3042021489","https://openalex.org/W3083669401","https://openalex.org/W3180230246","https://openalex.org/W3185341429","https://openalex.org/W3211377821","https://openalex.org/W3214740101","https://openalex.org/W4221143046","https://openalex.org/W4225591000","https://openalex.org/W4226159083","https://openalex.org/W4226278401","https://openalex.org/W4226485558","https://openalex.org/W4252076394","https://openalex.org/W4281763794","https://openalex.org/W4297253404","https://openalex.org/W4304195432","https://openalex.org/W4307410169","https://openalex.org/W4309674289","https://openalex.org/W4311172319","https://openalex.org/W4322718191","https://openalex.org/W4327550249","https://openalex.org/W4360836968","https://openalex.org/W4386465483","https://openalex.org/W4387694367","https://openalex.org/W4396723768","https://openalex.org/W6767858076","https://openalex.org/W6772383348","https://openalex.org/W6810081322","https://openalex.org/W6811129797","https://openalex.org/W6847753483"],"related_works":["https://openalex.org/W2367925007","https://openalex.org/W3015724364","https://openalex.org/W3094085917","https://openalex.org/W4288263119","https://openalex.org/W2967994095","https://openalex.org/W4287631637","https://openalex.org/W2900126711","https://openalex.org/W4285240985","https://openalex.org/W3099576124","https://openalex.org/W4225162083"],"abstract_inverted_index":{"Abstract":[0],"Transformer-based":[1],"large":[2,55],"language":[3,15,56],"models":[4,57],"are":[5],"making":[6],"significant":[7],"strides":[8],"in":[9,115],"various":[10],"fields,":[11],"such":[12,61],"as":[13,62],"natural":[14],"processing":[16],"1\u20135":[17],",":[18,21],"biology":[19],"6,7":[20],"chemistry":[22],"8\u201310":[23],"and":[24,34,49,64,69,99,107],"computer":[25],"programming":[26],"11,12":[27],".":[28],"Here,":[29],"we":[30],"show":[31],"the":[32,84,104],"development":[33],"capabilities":[35,94],"of":[36,88,109],"Coscientist,":[37],"an":[38],"artificial":[39,110],"intelligence":[40,111],"system":[41],"driven":[42],"by":[43,53,59],"GPT-4":[44],"that":[45],"autonomously":[46],"designs,":[47],"plans":[48],"performs":[50],"complex":[51],"experiments":[52],"incorporating":[54],"empowered":[58],"tools":[60],"internet":[63],"documentation":[65],"search,":[66],"code":[67],"execution":[68],"experimental":[70,97],"automation.":[71],"Coscientist":[72,114],"showcases":[73],"its":[74],"potential":[75],"for":[76,95],"accelerating":[77],"research":[78],"across":[79],"six":[80],"diverse":[81],"tasks,":[82],"including":[83],"successful":[85],"reaction":[86],"optimization":[87],"palladium-catalysed":[89],"cross-couplings,":[90],"while":[91],"exhibiting":[92],"advanced":[93],"(semi-)autonomous":[96],"design":[98],"execution.":[100],"Our":[101],"findings":[102],"demonstrate":[103],"versatility,":[105],"efficacy":[106],"explainability":[108],"systems":[112],"like":[113],"advancing":[116],"research.":[117]},"counts_by_year":[{"year":2026,"cited_by_count":211},{"year":2025,"cited_by_count":395},{"year":2024,"cited_by_count":203},{"year":2023,"cited_by_count":7}],"updated_date":"2026-06-30T13:55:48.251075","created_date":"2025-10-10T00:00:00"}