{"id":"https://openalex.org/W2007832879","doi":"https://doi.org/10.1016/0097-8485(91)80033-i","title":"A central atom based algorithm and computer program for substructure search","display_name":"A central atom based algorithm and computer program for substructure search","publication_year":1991,"publication_date":"1991-01-01","ids":{"openalex":"https://openalex.org/W2007832879","doi":"https://doi.org/10.1016/0097-8485(91)80033-i","mag":"2007832879"},"language":"en","primary_location":{"id":"doi:10.1016/0097-8485(91)80033-i","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0097-8485(91)80033-i","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 &amp; 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/A5006433969","display_name":"Alf Dengler","orcid":null},"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":"Alf Dengler","raw_affiliation_strings":["Institut f\u00fcr Organische Chemie, Technische Universit\u00e4t M\u00fcnchen, Lichtenbergstr. 4, 8046 Garching, Deutschland"],"affiliations":[{"raw_affiliation_string":"Institut f\u00fcr Organische Chemie, Technische Universit\u00e4t M\u00fcnchen, Lichtenbergstr. 4, 8046 Garching, Deutschland","institution_ids":["https://openalex.org/I62916508"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5088359627","display_name":"Ivar Ugi","orcid":null},"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":"Ivar Ugi","raw_affiliation_strings":["Institut f\u00fcr Organische Chemie, Technische Universit\u00e4t M\u00fcnchen, Lichtenbergstr. 4, 8046 Garching, Deutschland"],"affiliations":[{"raw_affiliation_string":"Institut f\u00fcr Organische Chemie, Technische Universit\u00e4t M\u00fcnchen, Lichtenbergstr. 4, 8046 Garching, Deutschland","institution_ids":["https://openalex.org/I62916508"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5088359627"],"corresponding_institution_ids":["https://openalex.org/I62916508"],"apc_list":null,"apc_paid":null,"fwci":1.0227,"has_fulltext":false,"cited_by_count":16,"citation_normalized_percentile":{"value":0.73582983,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":94},"biblio":{"volume":"15","issue":"2","first_page":"103","last_page":"107"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9965000152587891,"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":0.9965000152587891,"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":0.9897000193595886,"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/T13180","display_name":"Chemistry and Chemical Engineering","score":0.9782999753952026,"subfield":{"id":"https://openalex.org/subfields/2304","display_name":"Environmental Chemistry"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/substructure","display_name":"Substructure","score":0.9445874691009521},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.6327383518218994},{"id":"https://openalex.org/keywords/computer-program","display_name":"Computer program","score":0.6059069633483887},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5717626214027405},{"id":"https://openalex.org/keywords/atom","display_name":"Atom (system on chip)","score":0.5343021154403687},{"id":"https://openalex.org/keywords/graph-theory","display_name":"Graph theory","score":0.4684975743293762},{"id":"https://openalex.org/keywords/covalent-bond","display_name":"Covalent bond","score":0.43090540170669556},{"id":"https://openalex.org/keywords/graph","display_name":"Graph","score":0.4296441376209259},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.38701096177101135},{"id":"https://openalex.org/keywords/combinatorics","display_name":"Combinatorics","score":0.2907300889492035},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.2551382780075073},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.1843237578868866},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"Parallel computing","score":0.16439861059188843},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.14758050441741943},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.0947742760181427}],"concepts":[{"id":"https://openalex.org/C99679407","wikidata":"https://www.wikidata.org/wiki/Q56761637","display_name":"Substructure","level":2,"score":0.9445874691009521},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.6327383518218994},{"id":"https://openalex.org/C2777362769","wikidata":"https://www.wikidata.org/wiki/Q40056","display_name":"Computer program","level":2,"score":0.6059069633483887},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5717626214027405},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.5343021154403687},{"id":"https://openalex.org/C88230418","wikidata":"https://www.wikidata.org/wiki/Q131476","display_name":"Graph theory","level":2,"score":0.4684975743293762},{"id":"https://openalex.org/C180577832","wikidata":"https://www.wikidata.org/wiki/Q127920","display_name":"Covalent bond","level":2,"score":0.43090540170669556},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.4296441376209259},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.38701096177101135},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.2907300889492035},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.2551382780075073},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.1843237578868866},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.16439861059188843},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.14758050441741943},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0947742760181427},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C66938386","wikidata":"https://www.wikidata.org/wiki/Q633538","display_name":"Structural engineering","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/0097-8485(91)80033-i","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0097-8485(91)80033-i","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 &amp; 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":10,"referenced_works":["https://openalex.org/W1977464943","https://openalex.org/W1985067238","https://openalex.org/W2034206500","https://openalex.org/W2048221891","https://openalex.org/W2048597398","https://openalex.org/W2048685244","https://openalex.org/W2066476538","https://openalex.org/W2078882389","https://openalex.org/W2317875279","https://openalex.org/W7030205238"],"related_works":["https://openalex.org/W3153444835","https://openalex.org/W2153916713","https://openalex.org/W2023846184","https://openalex.org/W2703419385","https://openalex.org/W2329056228","https://openalex.org/W2284584236","https://openalex.org/W1979083399","https://openalex.org/W2374530195","https://openalex.org/W2953357932","https://openalex.org/W2043946748"],"abstract_inverted_index":null,"counts_by_year":[{"year":2019,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
