{"id":"https://openalex.org/W4383187427","doi":"https://doi.org/10.1021/acs.jcim.3c00607","title":"Data Sharing in Chemistry: Lessons Learned and a Case for Mandating Structured Reaction Data","display_name":"Data Sharing in Chemistry: Lessons Learned and a Case for Mandating Structured Reaction Data","publication_year":2023,"publication_date":"2023-07-05","ids":{"openalex":"https://openalex.org/W4383187427","doi":"https://doi.org/10.1021/acs.jcim.3c00607","pmid":"https://pubmed.ncbi.nlm.nih.gov/37405398"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.3c00607","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00607","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00607","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-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"review","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00607","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5090993508","display_name":"Roc\u00edo Mercado","orcid":"https://orcid.org/0000-0002-6170-6088"},"institutions":[{"id":"https://openalex.org/I63966007","display_name":"Massachusetts Institute of Technology","ror":"https://ror.org/042nb2s44","country_code":"US","type":"education","lineage":["https://openalex.org/I63966007"]},{"id":"https://openalex.org/I66862912","display_name":"Chalmers University of Technology","ror":"https://ror.org/040wg7k59","country_code":"SE","type":"education","lineage":["https://openalex.org/I66862912"]}],"countries":["SE","US"],"is_corresponding":false,"raw_author_name":"Roc\u00edo Mercado","raw_affiliation_strings":["Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States","Department of Computer Science and Engineering, Chalmers University of Technology, 412 96 Gothenburg, Sweden"],"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States","institution_ids":["https://openalex.org/I63966007"]},{"raw_affiliation_string":"Department of Computer Science and Engineering, Chalmers University of Technology, 412 96 Gothenburg, Sweden","institution_ids":["https://openalex.org/I66862912"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037497403","display_name":"Steven Kearnes","orcid":"https://orcid.org/0000-0003-4579-4388"},"institutions":[{"id":"https://openalex.org/I4210116569","display_name":"Relay Therapeutics (United States)","ror":"https://ror.org/02bkgy413","country_code":"US","type":"company","lineage":["https://openalex.org/I4210116569"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Steven M. Kearnes","raw_affiliation_strings":["Relay Therapeutics, Cambridge, Massachusetts 02142-1213, United States"],"affiliations":[{"raw_affiliation_string":"Relay Therapeutics, Cambridge, Massachusetts 02142-1213, United States","institution_ids":["https://openalex.org/I4210116569"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5076162644","display_name":"Connor W. Coley","orcid":"https://orcid.org/0000-0002-8271-8723"},"institutions":[{"id":"https://openalex.org/I63966007","display_name":"Massachusetts Institute of Technology","ror":"https://ror.org/042nb2s44","country_code":"US","type":"education","lineage":["https://openalex.org/I63966007"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Connor W. Coley","raw_affiliation_strings":["Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States","Department of Electrical Engineering and Computer Science, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States","institution_ids":["https://openalex.org/I63966007"]},{"raw_affiliation_string":"Department of Electrical Engineering and Computer Science, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States","institution_ids":["https://openalex.org/I63966007"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5076162644"],"corresponding_institution_ids":["https://openalex.org/I63966007"],"apc_list":null,"apc_paid":null,"fwci":4.3324,"has_fulltext":true,"cited_by_count":44,"citation_normalized_percentile":{"value":0.95836813,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":100},"biblio":{"volume":"63","issue":"14","first_page":"4253","last_page":"4265"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9977999925613403,"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":0.9977999925613403,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9891999959945679,"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/T11986","display_name":"Scientific Computing and Data Management","score":0.9864000082015991,"subfield":{"id":"https://openalex.org/subfields/1802","display_name":"Information Systems and Management"},"field":{"id":"https://openalex.org/fields/18","display_name":"Decision Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/bespoke","display_name":"Bespoke","score":0.7692967653274536},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6840971112251282},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.6190316677093506},{"id":"https://openalex.org/keywords/interoperability","display_name":"Interoperability","score":0.6103495955467224},{"id":"https://openalex.org/keywords/data-sharing","display_name":"Data sharing","score":0.5962584018707275},{"id":"https://openalex.org/keywords/cheminformatics","display_name":"Cheminformatics","score":0.5089139938354492},{"id":"https://openalex.org/keywords/field","display_name":"Field (mathematics)","score":0.47296422719955444},{"id":"https://openalex.org/keywords/informatics","display_name":"Informatics","score":0.47190338373184204},{"id":"https://openalex.org/keywords/data-curation","display_name":"Data curation","score":0.42326992750167847},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.2731391191482544},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.2643255293369293},{"id":"https://openalex.org/keywords/political-science","display_name":"Political science","score":0.121573805809021}],"concepts":[{"id":"https://openalex.org/C44210515","wikidata":"https://www.wikidata.org/wiki/Q16968978","display_name":"Bespoke","level":2,"score":0.7692967653274536},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6840971112251282},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.6190316677093506},{"id":"https://openalex.org/C20136886","wikidata":"https://www.wikidata.org/wiki/Q749647","display_name":"Interoperability","level":2,"score":0.6103495955467224},{"id":"https://openalex.org/C2779965156","wikidata":"https://www.wikidata.org/wiki/Q5227350","display_name":"Data sharing","level":3,"score":0.5962584018707275},{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.5089139938354492},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.47296422719955444},{"id":"https://openalex.org/C191630685","wikidata":"https://www.wikidata.org/wiki/Q4027615","display_name":"Informatics","level":2,"score":0.47190338373184204},{"id":"https://openalex.org/C91632574","wikidata":"https://www.wikidata.org/wiki/Q15088675","display_name":"Data curation","level":2,"score":0.42326992750167847},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.2731391191482544},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2643255293369293},{"id":"https://openalex.org/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"score":0.121573805809021},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0},{"id":"https://openalex.org/C204787440","wikidata":"https://www.wikidata.org/wiki/Q188504","display_name":"Alternative medicine","level":2,"score":0.0},{"id":"https://openalex.org/C199539241","wikidata":"https://www.wikidata.org/wiki/Q7748","display_name":"Law","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C142724271","wikidata":"https://www.wikidata.org/wiki/Q7208","display_name":"Pathology","level":1,"score":0.0},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","level":1,"score":0.0}],"mesh":[{"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":"D033181","descriptor_name":"Information Dissemination","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D033181","descriptor_name":"Information Dissemination","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D033181","descriptor_name":"Information Dissemination","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D033181","descriptor_name":"Information Dissemination","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D048088","descriptor_name":"Informatics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D048088","descriptor_name":"Informatics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D048088","descriptor_name":"Informatics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D048088","descriptor_name":"Informatics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D066289","descriptor_name":"Data Curation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D066289","descriptor_name":"Data Curation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D066289","descriptor_name":"Data Curation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D066289","descriptor_name":"Data Curation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":5,"locations":[{"id":"doi:10.1021/acs.jcim.3c00607","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00607","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00607","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-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:37405398","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/37405398","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:dspace.mit.edu:1721.1/158183","is_oa":true,"landing_page_url":"https://hdl.handle.net/1721.1/158183","pdf_url":"https://dspace.mit.edu/bitstream/1721.1/158183/2/mercado-et-al-2023-data-sharing-in-chemistry-lessons-learned-and-a-case-for-mandating-structured-reaction-data.pdf","source":{"id":"https://openalex.org/S4306400425","display_name":"DSpace@MIT (Massachusetts Institute of Technology)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I63966007","host_organization_name":"Massachusetts Institute of Technology","host_organization_lineage":["https://openalex.org/I63966007"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"American Chemical Society","raw_type":"http://purl.org/eprint/type/JournalArticle"},{"id":"pmh:oai:pubmedcentral.nih.gov:10369484","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/10369484","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC10369484/pdf/ci3c00607.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-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"},{"id":"pmh:oai:research.chalmers.se:536692","is_oa":true,"landing_page_url":"https://research.chalmers.se/en/publication/536692","pdf_url":"https://research.chalmers.se/publication/536692/file/536692_Fulltext.pdf","source":{"id":"https://openalex.org/S4306402469","display_name":"Chalmers Research (Chalmers University of Technology)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I66862912","host_organization_name":"Chalmers University of Technology","host_organization_lineage":["https://openalex.org/I66862912"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":""}],"best_oa_location":{"id":"doi:10.1021/acs.jcim.3c00607","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00607","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00607","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-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.4300000071525574,"display_name":"Partnerships for the goals","id":"https://metadata.un.org/sdg/17"},{"score":0.4000000059604645,"display_name":"Industry, innovation and infrastructure","id":"https://metadata.un.org/sdg/9"}],"awards":[{"id":"https://openalex.org/G3394259663","display_name":null,"funder_award_id":"CHE-2144153","funder_id":"https://openalex.org/F4320337393","funder_display_name":"Division of Chemistry"},{"id":"https://openalex.org/G375946140","display_name":null,"funder_award_id":"CHE-2144153","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G6916763417","display_name":"CAREER: Development of Novel Domain-Tailored Machine Learning Tools for Organic Reaction Development and Discovery","funder_award_id":"2144153","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G848032724","display_name":null,"funder_award_id":"Science","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/F4320313288","display_name":"European Bioinformatics Institute","ror":"https://ror.org/02catss52"},{"id":"https://openalex.org/F4320318946","display_name":"Relay Therapeutics","ror":"https://ror.org/02bkgy413"},{"id":"https://openalex.org/F4320337393","display_name":"Division of Chemistry","ror":"https://ror.org/01ar8dr59"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4383187427.pdf","grobid_xml":"https://content.openalex.org/works/W4383187427.grobid-xml"},"referenced_works_count":64,"referenced_works":["https://openalex.org/W47786891","https://openalex.org/W1852306145","https://openalex.org/W1901715948","https://openalex.org/W1944437896","https://openalex.org/W1969640557","https://openalex.org/W1972773608","https://openalex.org/W1976075691","https://openalex.org/W1978982822","https://openalex.org/W1988208432","https://openalex.org/W1996273492","https://openalex.org/W2005726891","https://openalex.org/W2021395631","https://openalex.org/W2022673999","https://openalex.org/W2056702184","https://openalex.org/W2096560421","https://openalex.org/W2110279208","https://openalex.org/W2121780366","https://openalex.org/W2127553917","https://openalex.org/W2153675433","https://openalex.org/W2159081899","https://openalex.org/W2408658219","https://openalex.org/W2557399158","https://openalex.org/W2606363443","https://openalex.org/W2619484455","https://openalex.org/W2747592475","https://openalex.org/W2784918212","https://openalex.org/W2785942661","https://openalex.org/W2799620402","https://openalex.org/W2890562229","https://openalex.org/W2899070097","https://openalex.org/W2901942917","https://openalex.org/W2916534270","https://openalex.org/W2947423323","https://openalex.org/W2949064041","https://openalex.org/W2968071222","https://openalex.org/W3005996817","https://openalex.org/W3010145447","https://openalex.org/W3015111230","https://openalex.org/W3023658436","https://openalex.org/W3084673918","https://openalex.org/W3088265803","https://openalex.org/W3094332970","https://openalex.org/W3094771832","https://openalex.org/W3097145107","https://openalex.org/W3101155908","https://openalex.org/W3103092523","https://openalex.org/W3168661259","https://openalex.org/W3170414307","https://openalex.org/W3201277766","https://openalex.org/W3209726219","https://openalex.org/W3213485948","https://openalex.org/W4205455490","https://openalex.org/W4210374662","https://openalex.org/W4211004868","https://openalex.org/W4211054902","https://openalex.org/W4213239998","https://openalex.org/W4226159083","https://openalex.org/W4233404883","https://openalex.org/W4234718216","https://openalex.org/W4239596166","https://openalex.org/W4249197915","https://openalex.org/W4281860694","https://openalex.org/W4283449818","https://openalex.org/W4283644061"],"related_works":["https://openalex.org/W2181465263","https://openalex.org/W3093969907","https://openalex.org/W3202725889","https://openalex.org/W2232750048","https://openalex.org/W2212726445","https://openalex.org/W4244794230","https://openalex.org/W4249724822","https://openalex.org/W4390080500","https://openalex.org/W4210478786","https://openalex.org/W2126676706"],"abstract_inverted_index":{"The":[0],"past":[1],"decade":[2],"has":[3],"seen":[4,107],"a":[5],"number":[6],"of":[7,27,46,61,67,87,169],"impressive":[8],"developments":[9,29],"in":[10,40,48,58,73,109],"predictive":[11],"chemistry":[12,110],"and":[13,77,102,111,124,134,147,163,174],"reaction":[14,62,138,157],"informatics":[15],"driven":[16],"by":[17],"machine":[18],"learning":[19],"applications":[20],"to":[21,42,121,137],"computer-aided":[22],"synthesis":[23],"planning.":[24],"While":[25],"many":[26],"these":[28,131],"have":[30,106,119],"been":[31],"made":[32],"even":[33],"with":[34],"relatively":[35],"small,":[36],"bespoke":[37],"data":[38,70,100,158],"sets,":[39],"order":[41],"advance":[43],"the":[44,49,59,65,85,143,151,167],"role":[45],"AI":[47],"field":[50],"at":[51],"scale,":[52],"there":[53],"must":[54],"be":[55,91],"significant":[56],"improvements":[57],"reporting":[60],"data.":[63,139],"Currently,":[64],"majority":[66],"publicly":[68],"available":[69],"is":[71],"reported":[72],"an":[74],"unstructured":[75],"format":[76],"heavily":[78],"imbalanced":[79],"toward":[80,155],"high-yielding":[81],"reactions,":[82],"which":[83],"influences":[84],"types":[86],"models":[88],"that":[89,105,118],"can":[90,127,153],"successfully":[92],"trained.":[93],"In":[94],"this":[95],"Perspective,":[96],"we":[97,126,141],"analyze":[98],"several":[99,116],"curation":[101],"sharing":[103],"initiatives":[104],"success":[108,123],"molecular":[112],"biology.":[113],"We":[114],"discuss":[115],"factors":[117],"contributed":[120],"their":[122],"how":[125],"take":[128,154],"lessons":[129],"from":[130,171],"case":[132],"studies":[133],"apply":[135],"them":[136],"Finally,":[140],"spotlight":[142],"Open":[144],"Reaction":[145],"Database":[146],"summarize":[148],"key":[149],"actions":[150],"community":[152],"making":[156],"more":[159],"findable,":[160],"accessible,":[161],"interoperable,":[162],"reusable":[164],"(FAIR),":[165],"including":[166],"use":[168],"mandates":[170],"funding":[172],"agencies":[173],"publishers.":[175]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":17},{"year":2024,"cited_by_count":21},{"year":2023,"cited_by_count":3}],"updated_date":"2026-04-16T15:07:20.185449","created_date":"2025-10-10T00:00:00"}