{"id":"https://openalex.org/W2069743087","doi":"https://doi.org/10.1021/ci00013a015","title":"Analysis of the reactivity of single bonds in aliphatic molecules by statistical and pattern recognition methods","display_name":"Analysis of the reactivity of single bonds in aliphatic molecules by statistical and pattern recognition methods","publication_year":1993,"publication_date":"1993-05-01","ids":{"openalex":"https://openalex.org/W2069743087","doi":"https://doi.org/10.1021/ci00013a015","mag":"2069743087"},"language":"en","primary_location":{"id":"doi:10.1021/ci00013a015","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci00013a015","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/A5038599370","display_name":"Johann Gasteiger","orcid":"https://orcid.org/0000-0003-2036-7144"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"J. Gasteiger","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5035205579","display_name":"K.\u2010P. Schulz","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"K. P. Schulz","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5052159366","display_name":"C. Kredler","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"C. Kredler","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.5216,"has_fulltext":false,"cited_by_count":8,"citation_normalized_percentile":{"value":0.66625477,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"33","issue":"3","first_page":"385","last_page":"394"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9918000102043152,"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":0.9918000102043152,"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/T10640","display_name":"Spectroscopy and Chemometric Analyses","score":0.98089998960495,"subfield":{"id":"https://openalex.org/subfields/1602","display_name":"Analytical 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/T11423","display_name":"Pesticide Residue Analysis and Safety","score":0.9621999859809875,"subfield":{"id":"https://openalex.org/subfields/1106","display_name":"Food Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/icon","display_name":"Icon","score":0.7330631017684937},{"id":"https://openalex.org/keywords/citation","display_name":"Citation","score":0.6866819858551025},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5829511284828186},{"id":"https://openalex.org/keywords/reactivity","display_name":"Reactivity (psychology)","score":0.509872317314148},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.46818768978118896},{"id":"https://openalex.org/keywords/library-science","display_name":"Library science","score":0.25851258635520935},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.1463744342327118}],"concepts":[{"id":"https://openalex.org/C2778447006","wikidata":"https://www.wikidata.org/wiki/Q1156474","display_name":"Icon","level":2,"score":0.7330631017684937},{"id":"https://openalex.org/C2778805511","wikidata":"https://www.wikidata.org/wiki/Q1713","display_name":"Citation","level":2,"score":0.6866819858551025},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5829511284828186},{"id":"https://openalex.org/C2776910235","wikidata":"https://www.wikidata.org/wiki/Q18574","display_name":"Reactivity (psychology)","level":3,"score":0.509872317314148},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.46818768978118896},{"id":"https://openalex.org/C161191863","wikidata":"https://www.wikidata.org/wiki/Q199655","display_name":"Library science","level":1,"score":0.25851258635520935},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.1463744342327118},{"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/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C142724271","wikidata":"https://www.wikidata.org/wiki/Q7208","display_name":"Pathology","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/ci00013a015","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci00013a015","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":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2748952813","https://openalex.org/W3175319091","https://openalex.org/W4360922125","https://openalex.org/W2056060060","https://openalex.org/W1504514227","https://openalex.org/W220677501","https://openalex.org/W2076882245","https://openalex.org/W2175435306","https://openalex.org/W2981902742","https://openalex.org/W4207071872"],"abstract_inverted_index":{"ADVERTISEMENT":[0],"RETURN":[1],"TO":[2],"ISSUEPREVArticleNEXTAnalysis":[3],"of":[4,7,61,96,122],"the":[5,58,89,94,123,134,147,150,155,162,168],"reactivity":[6],"single":[8],"bonds":[9],"in":[10],"aliphatic":[11],"molecules":[12],"by":[13,103],"statistical":[14],"and":[15,23,71,76,105,149,166,182,184],"pattern":[16],"recognition":[17],"methodsJ.":[18],"Gasteiger,":[19],"K.":[20],"P.":[21],"Schulz,":[22],"C.":[24],"KredlerCite":[25],"this:":[26],"J.":[27],"Chem.":[28],"Inf.":[29],"Comput.":[30],"Sci.":[31],"1993,":[32],"33,":[33],"3,":[34],"385\u2013394Publication":[35],"Date":[36],"(Print):May":[37],"1,":[38],"1993Publication":[39],"History":[40],"Published":[41],"online1":[42],"May":[43,47],"2002Published":[44],"inissue":[45],"1":[46],"1993https://pubs.acs.org/doi/10.1021/ci00013a015https://doi.org/10.1021/ci00013a015research-articleACS":[48],"PublicationsRequest":[49],"reuse":[50],"permissionsArticle":[51],"Views33Altmetric-Citations7LEARN":[52],"ABOUT":[53],"THESE":[54],"METRICSArticle":[55],"Views":[56],"are":[57,80,93],"COUNTER-compliant":[59],"sum":[60],"full":[62],"text":[63],"article":[64,128],"downloads":[65],"since":[66],"November":[67],"2008":[68],"(both":[69],"PDF":[70],"HTML)":[72],"across":[73],"all":[74],"institutions":[75],"individuals.":[77],"These":[78],"metrics":[79],"regularly":[81],"updated":[82,106],"to":[83,88],"reflect":[84],"usage":[85],"leading":[86],"up":[87],"last":[90],"few":[91],"days.Citations":[92],"number":[95],"other":[97],"articles":[98],"citing":[99],"this":[100],"article,":[101],"calculated":[102],"Crossref":[104,112],"daily.":[107],"Find":[108,158],"more":[109,159],"information":[110,160],"about":[111,146],"citation":[113],"counts.The":[114],"Altmetric":[115,163],"Attention":[116,164],"Score":[117,165],"is":[118,170],"a":[119,126,139],"quantitative":[120],"measure":[121],"attention":[124],"that":[125],"research":[127],"has":[129],"received":[130],"online.":[131],"Clicking":[132],"on":[133,161],"donut":[135],"icon":[136],"will":[137],"load":[138],"page":[140],"at":[141],"altmetric.com":[142],"with":[143,178],"additional":[144],"details":[145],"score":[148,169],"social":[151],"media":[152],"presence":[153],"for":[154],"given":[156],"article.":[157],"how":[167],"calculated.":[171],"Share":[172,187],"Add":[173],"toView":[174],"InAdd":[175],"Full":[176],"Text":[177],"ReferenceAdd":[179],"Description":[180],"ExportRISCitationCitation":[181],"abstractCitation":[183],"referencesMore":[185],"Options":[186],"onFacebookTwitterWechatLinked":[188],"InRedditEmail":[189],"Other":[190],"access":[191],"options":[192],"Get":[193],"e-Alerts":[194]},"counts_by_year":[],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-10-10T00:00:00"}
