{"id":"https://openalex.org/W1570155593","doi":"https://doi.org/10.1007/bfb0038520","title":"Predicting chemical reactions with a neural network","display_name":"Predicting chemical reactions with a neural network","publication_year":1991,"publication_date":"1991-01-01","ids":{"openalex":"https://openalex.org/W1570155593","doi":"https://doi.org/10.1007/bfb0038520","mag":"1570155593"},"language":"en","primary_location":{"id":"doi:10.1007/bfb0038520","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bfb0038520","pdf_url":null,"source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Lecture Notes in Computer Science","raw_type":"book-chapter"},"type":"book-chapter","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/A5088520772","display_name":"David W. Elrod","orcid":null},"institutions":[{"id":"https://openalex.org/I83925599","display_name":"W.E. Upjohn Institute for Employment Research","ror":"https://ror.org/00kqye711","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I83925599"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"David W. Elrod","raw_affiliation_strings":["Computational Chemistry, The Upjohn Company, 49001, Kalamazoo, Michigan","Computational Chemistry, The Upjohn Company, Kalamazoo,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computational Chemistry, The Upjohn Company, 49001, Kalamazoo, Michigan","institution_ids":["https://openalex.org/I83925599"]},{"raw_affiliation_string":"Computational Chemistry, The Upjohn Company, Kalamazoo,","institution_ids":["https://openalex.org/I83925599"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037083325","display_name":"Gerry M. Maggiora","orcid":null},"institutions":[{"id":"https://openalex.org/I83925599","display_name":"W.E. Upjohn Institute for Employment Research","ror":"https://ror.org/00kqye711","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I83925599"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Gerry M. Maggiora","raw_affiliation_strings":["Computational Chemistry, The Upjohn Company, 49001, Kalamazoo, Michigan","Computational Chemistry, The Upjohn Company, Kalamazoo,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computational Chemistry, The Upjohn Company, 49001, Kalamazoo, Michigan","institution_ids":["https://openalex.org/I83925599"]},{"raw_affiliation_string":"Computational Chemistry, The Upjohn Company, Kalamazoo,","institution_ids":["https://openalex.org/I83925599"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5057741485","display_name":"Robert Trenary","orcid":null},"institutions":[{"id":"https://openalex.org/I141649380","display_name":"Western Michigan University","ror":"https://ror.org/04j198w64","country_code":"US","type":"education","lineage":["https://openalex.org/I141649380"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Robert G. Trenary","raw_affiliation_strings":["Computer Science Department, Western Michigan University, 49008, Kalamazoo, Michigan","Computer Science Department, Western Michigan University, Kalamazoo,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computer Science Department, Western Michigan University, 49008, Kalamazoo, Michigan","institution_ids":["https://openalex.org/I141649380"]},{"raw_affiliation_string":"Computer Science Department, Western Michigan University, Kalamazoo,","institution_ids":["https://openalex.org/I141649380"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":5000,"currency":"EUR","value_usd":5392},"apc_paid":null,"fwci":2.1977,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.86042403,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"392","last_page":"398"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12327","display_name":"Various Chemistry Research Topics","score":0.9294999837875366,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T12327","display_name":"Various Chemistry Research Topics","score":0.9294999837875366,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9077000021934509,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"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":0.785409688949585},{"id":"https://openalex.org/keywords/intuition","display_name":"Intuition","score":0.6809931993484497},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.6803750991821289},{"id":"https://openalex.org/keywords/electrophile","display_name":"Electrophile","score":0.5761626362800598},{"id":"https://openalex.org/keywords/chemical-reaction","display_name":"Chemical reaction","score":0.5583987236022949},{"id":"https://openalex.org/keywords/representation","display_name":"Representation (politics)","score":0.450679749250412},{"id":"https://openalex.org/keywords/product-distribution","display_name":"Product distribution","score":0.4219183623790741},{"id":"https://openalex.org/keywords/electrophilic-substitution","display_name":"Electrophilic substitution","score":0.42019131779670715},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.4051276445388794},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.3774060010910034},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.33021044731140137},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.3286142349243164},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3042655289173126},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.29526546597480774},{"id":"https://openalex.org/keywords/cognitive-science","display_name":"Cognitive science","score":0.07294720411300659}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.785409688949585},{"id":"https://openalex.org/C132010649","wikidata":"https://www.wikidata.org/wiki/Q189222","display_name":"Intuition","level":2,"score":0.6809931993484497},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.6803750991821289},{"id":"https://openalex.org/C50027330","wikidata":"https://www.wikidata.org/wiki/Q908086","display_name":"Electrophile","level":3,"score":0.5761626362800598},{"id":"https://openalex.org/C177801218","wikidata":"https://www.wikidata.org/wiki/Q36534","display_name":"Chemical reaction","level":2,"score":0.5583987236022949},{"id":"https://openalex.org/C2776359362","wikidata":"https://www.wikidata.org/wiki/Q2145286","display_name":"Representation (politics)","level":3,"score":0.450679749250412},{"id":"https://openalex.org/C17112743","wikidata":"https://www.wikidata.org/wiki/Q7247759","display_name":"Product distribution","level":3,"score":0.4219183623790741},{"id":"https://openalex.org/C2777965246","wikidata":"https://www.wikidata.org/wiki/Q899587","display_name":"Electrophilic substitution","level":2,"score":0.42019131779670715},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.4051276445388794},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.3774060010910034},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.33021044731140137},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.3286142349243164},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3042655289173126},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.29526546597480774},{"id":"https://openalex.org/C188147891","wikidata":"https://www.wikidata.org/wiki/Q147638","display_name":"Cognitive science","level":1,"score":0.07294720411300659},{"id":"https://openalex.org/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"score":0.0},{"id":"https://openalex.org/C15744967","wikidata":"https://www.wikidata.org/wiki/Q9418","display_name":"Psychology","level":0,"score":0.0},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0},{"id":"https://openalex.org/C94625758","wikidata":"https://www.wikidata.org/wiki/Q7163","display_name":"Politics","level":2,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C199539241","wikidata":"https://www.wikidata.org/wiki/Q7748","display_name":"Law","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/bfb0038520","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bfb0038520","pdf_url":null,"source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Lecture Notes in Computer Science","raw_type":"book-chapter"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":13,"referenced_works":["https://openalex.org/W583117345","https://openalex.org/W595111442","https://openalex.org/W607606396","https://openalex.org/W1552102646","https://openalex.org/W2007163515","https://openalex.org/W2014731568","https://openalex.org/W2026106480","https://openalex.org/W2321110784","https://openalex.org/W2331334276","https://openalex.org/W2606048301","https://openalex.org/W3019279860","https://openalex.org/W4206931838","https://openalex.org/W6629279396"],"related_works":["https://openalex.org/W80857121","https://openalex.org/W1978032949","https://openalex.org/W2033650191","https://openalex.org/W2068715967","https://openalex.org/W2073718996","https://openalex.org/W1979920541","https://openalex.org/W2051576274","https://openalex.org/W2010393993","https://openalex.org/W2070590197","https://openalex.org/W2328988941"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-10-10T00:00:00"}