{"id":"https://openalex.org/W2026335456","doi":"https://doi.org/10.1016/0097-8485(83)80021-7","title":"Computer modeling of molecular structures","display_name":"Computer modeling of molecular structures","publication_year":1983,"publication_date":"1983-01-01","ids":{"openalex":"https://openalex.org/W2026335456","doi":"https://doi.org/10.1016/0097-8485(83)80021-7","mag":"2026335456"},"language":"en","primary_location":{"id":"doi:10.1016/0097-8485(83)80021-7","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0097-8485(83)80021-7","pdf_url":null,"source":{"id":"https://openalex.org/S4210194753","display_name":"Computers & Chemistry","issn_l":"0097-8485","issn":["0097-8485","1879-0763"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320146","host_organization_name":"Pergamon Press","host_organization_lineage":["https://openalex.org/P4310320146"],"host_organization_lineage_names":["Pergamon Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers & Chemistry","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/A5023201790","display_name":"Johannes Bauer","orcid":"https://orcid.org/0000-0001-6801-2540"},"institutions":[{"id":"https://openalex.org/I62916508","display_name":"Technical University of Munich","ror":"https://ror.org/02kkvpp62","country_code":"DE","type":"education","lineage":["https://openalex.org/I62916508"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Johannes Bauer","raw_affiliation_strings":["Organisch-Chemisches Institut, Technische Universit\u00e4t M\u00fcnchen, Lichtenbergstrasse 4, 8046 Garching, West Germany"],"affiliations":[{"raw_affiliation_string":"Organisch-Chemisches Institut, Technische Universit\u00e4t M\u00fcnchen, Lichtenbergstrasse 4, 8046 Garching, West Germany","institution_ids":["https://openalex.org/I62916508"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5033292897","display_name":"Wolfgang Schubert","orcid":"https://orcid.org/0000-0002-4047-2403"},"institutions":[{"id":"https://openalex.org/I62916508","display_name":"Technical University of Munich","ror":"https://ror.org/02kkvpp62","country_code":"DE","type":"education","lineage":["https://openalex.org/I62916508"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Wolfgang Schubert","raw_affiliation_strings":["Organisch-Chemisches Institut, Technische Universit\u00e4t M\u00fcnchen, Lichtenbergstrasse 4, 8046 Garching, West Germany"],"affiliations":[{"raw_affiliation_string":"Organisch-Chemisches Institut, Technische Universit\u00e4t M\u00fcnchen, Lichtenbergstrasse 4, 8046 Garching, West Germany","institution_ids":["https://openalex.org/I62916508"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5023201790"],"corresponding_institution_ids":["https://openalex.org/I62916508"],"apc_list":null,"apc_paid":null,"fwci":0.5673,"has_fulltext":false,"cited_by_count":2,"citation_normalized_percentile":{"value":0.62536202,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"7","issue":"2","first_page":"61","last_page":"65"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.6897000074386597,"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":0.6897000074386597,"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/T13297","display_name":"History and advancements in chemistry","score":0.6550999879837036,"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/T12327","display_name":"Various Chemistry Research Topics","score":0.6252999901771545,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/molecular-model","display_name":"Molecular model","score":0.596625030040741},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5700684189796448},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.19412973523139954},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.08458399772644043}],"concepts":[{"id":"https://openalex.org/C178910836","wikidata":"https://www.wikidata.org/wiki/Q2196961","display_name":"Molecular model","level":2,"score":0.596625030040741},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5700684189796448},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.19412973523139954},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.08458399772644043}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/0097-8485(83)80021-7","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0097-8485(83)80021-7","pdf_url":null,"source":{"id":"https://openalex.org/S4210194753","display_name":"Computers & Chemistry","issn_l":"0097-8485","issn":["0097-8485","1879-0763"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320146","host_organization_name":"Pergamon Press","host_organization_lineage":["https://openalex.org/P4310320146"],"host_organization_lineage_names":["Pergamon Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers & Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":15,"referenced_works":["https://openalex.org/W1965491780","https://openalex.org/W1977214927","https://openalex.org/W1998328515","https://openalex.org/W2017380606","https://openalex.org/W2021983741","https://openalex.org/W2033103574","https://openalex.org/W2037810710","https://openalex.org/W2061124953","https://openalex.org/W2072292331","https://openalex.org/W2074141474","https://openalex.org/W2105956413","https://openalex.org/W2155045093","https://openalex.org/W2174076304","https://openalex.org/W2317875279","https://openalex.org/W2487563957"],"related_works":["https://openalex.org/W2748952813","https://openalex.org/W2390279801","https://openalex.org/W2358668433","https://openalex.org/W2376932109","https://openalex.org/W2001405890","https://openalex.org/W2382290278","https://openalex.org/W2350741829","https://openalex.org/W2530322880","https://openalex.org/W1596801655","https://openalex.org/W2359140296"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}