{"id":"https://openalex.org/W2061365508","doi":"https://doi.org/10.1021/ci9502663","title":"Principles of the Generation of Constitutional and Configurational Isomers","display_name":"Principles of the Generation of Constitutional and Configurational Isomers","publication_year":1996,"publication_date":"1996-01-01","ids":{"openalex":"https://openalex.org/W2061365508","doi":"https://doi.org/10.1021/ci9502663","mag":"2061365508"},"language":"en","primary_location":{"id":"doi:10.1021/ci9502663","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci9502663","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Computer Sciences","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/A5108397127","display_name":"T Wieland","orcid":null},"institutions":[{"id":"https://openalex.org/I54009628","display_name":"University of Bayreuth","ror":"https://ror.org/0234wmv40","country_code":"DE","type":"education","lineage":["https://openalex.org/I54009628"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"T. Wieland","raw_affiliation_strings":["University of Bayreuth, Department of Mathematics, D-95440 Bayreuth, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Bayreuth, Department of Mathematics, D-95440 Bayreuth, Germany","institution_ids":["https://openalex.org/I54009628"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5083654921","display_name":"Adalbert Kerber","orcid":null},"institutions":[{"id":"https://openalex.org/I54009628","display_name":"University of Bayreuth","ror":"https://ror.org/0234wmv40","country_code":"DE","type":"education","lineage":["https://openalex.org/I54009628"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"A. Kerber","raw_affiliation_strings":["University of Bayreuth, Department of Mathematics, D-95440 Bayreuth, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Bayreuth, Department of Mathematics, D-95440 Bayreuth, Germany","institution_ids":["https://openalex.org/I54009628"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5035707887","display_name":"Reinhard Laue","orcid":null},"institutions":[{"id":"https://openalex.org/I54009628","display_name":"University of Bayreuth","ror":"https://ror.org/0234wmv40","country_code":"DE","type":"education","lineage":["https://openalex.org/I54009628"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"R. Laue","raw_affiliation_strings":["University of Bayreuth, Department of Mathematics, D-95440 Bayreuth, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Bayreuth, Department of Mathematics, D-95440 Bayreuth, Germany","institution_ids":["https://openalex.org/I54009628"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I54009628"],"apc_list":null,"apc_paid":null,"fwci":7.6612,"has_fulltext":false,"cited_by_count":60,"citation_normalized_percentile":{"value":0.97704082,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"36","issue":"3","first_page":"413","last_page":"419"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9966999888420105,"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":0.9966999888420105,"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/T12527","display_name":"Chemistry and Stereochemistry Studies","score":0.9922999739646912,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic 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/T13297","display_name":"History and advancements in chemistry","score":0.9883000254631042,"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/computer-science","display_name":"Computer science","score":0.6015535593032837},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.34712764620780945}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6015535593032837},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.34712764620780945}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/ci9502663","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci9502663","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Computer Sciences","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.7900000214576721,"display_name":"Peace, Justice and strong institutions","id":"https://metadata.un.org/sdg/16"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":19,"referenced_works":["https://openalex.org/W1600137463","https://openalex.org/W1972782549","https://openalex.org/W1975025254","https://openalex.org/W1993980654","https://openalex.org/W1994349023","https://openalex.org/W2000703454","https://openalex.org/W2014123957","https://openalex.org/W2024862409","https://openalex.org/W2033293438","https://openalex.org/W2035157229","https://openalex.org/W2063313973","https://openalex.org/W2064305859","https://openalex.org/W2073822232","https://openalex.org/W2479845304","https://openalex.org/W2951116435","https://openalex.org/W2951797024","https://openalex.org/W3004830265","https://openalex.org/W3004844863","https://openalex.org/W3023755967"],"related_works":["https://openalex.org/W4391375266","https://openalex.org/W2748952813","https://openalex.org/W2390279801","https://openalex.org/W2358668433","https://openalex.org/W4396701345","https://openalex.org/W2376932109","https://openalex.org/W2001405890","https://openalex.org/W4396696052","https://openalex.org/W2382290278","https://openalex.org/W4395014643"],"abstract_inverted_index":{"In":[0],"the":[1,29,38,42,49,71,89,103],"automatization":[2],"of":[3,19,28,31,44,51,73],"molecular":[4],"structure":[5,115],"elucidation,":[6,116],"generators":[7],"for":[8,41,91,114],"constitutional":[9,45],"and":[10,54,111,122],"configurational":[11,75],"isomers":[12,76],"are":[13,22,95],"indispensable":[14],"tools.":[15],"Sophisticated":[16],"computer":[17],"programs":[18],"this":[20],"kind":[21],"based":[23],"on":[24],"a":[25,78,109],"mathematical":[26,84],"theory":[27,99],"construction":[30],"discrete":[32],"structures.":[33],"First,":[34],"we":[35],"will":[36],"describe":[37],"basic":[39],"principles":[40],"generation":[43,72],"isomers,":[46],"starting":[47],"with":[48,57,60],"notions":[50],"group":[52],"actions":[53],"ending":[55],"up":[56],"recent":[58],"improvements":[59],"respect":[61],"to":[62,70,77],"hybridization":[63],"constraints.":[64],"The":[65,82,97],"second":[66],"part":[67],"is":[68,100],"devoted":[69],"all":[74],"given":[79],"structural":[80],"isomer.":[81],"underlying":[83],"concepts":[85],"as":[86,88],"well":[87],"techniques":[90],"computing":[92],"spatial":[93],"realizations":[94],"discussed.":[96],"outlined":[98],"implemented":[101],"in":[102],"program":[104],"system":[105],"MOLGEN,":[106],"which":[107],"provides":[108],"fast":[110],"efficient":[112],"tool":[113],"running":[117],"under":[118],"DOS,":[119],"MS-Windows,":[120],"OS/2,":[121],"SUN-Solaris.":[123]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":3},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":1},{"year":2012,"cited_by_count":2}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}