{"id":"https://openalex.org/W2211121867","doi":"https://doi.org/10.1021/ci025655t","title":"Atomic Walk Counts of Negative Order","display_name":"Atomic Walk Counts of Negative Order","publication_year":2003,"publication_date":"2003-07-01","ids":{"openalex":"https://openalex.org/W2211121867","doi":"https://doi.org/10.1021/ci025655t","mag":"2211121867","pmid":"https://pubmed.ncbi.nlm.nih.gov/12870900"},"language":"en","primary_location":{"id":"doi:10.1021/ci025655t","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci025655t","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","pubmed"],"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/A5111415372","display_name":"Istv\u00e1n Lukovits","orcid":null},"institutions":[{"id":"https://openalex.org/I4210123216","display_name":"Ru\u0111er Bo\u0161kovi\u0107 Institute","ror":"https://ror.org/02mw21745","country_code":"HR","type":"facility","lineage":["https://openalex.org/I4210123216"]}],"countries":["HR"],"is_corresponding":true,"raw_author_name":"Istv\u00e1n Lukovits","raw_affiliation_strings":["Chemical Research Center, H-1525 Budapest, P.O.B. 17, Hungary, and The Rugjer Bo\u0161kovi\u0107 Institute, HR-10002 Zagreb, P.O.B. 180, Croatia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Research Center, H-1525 Budapest, P.O.B. 17, Hungary, and The Rugjer Bo\u0161kovi\u0107 Institute, HR-10002 Zagreb, P.O.B. 180, Croatia","institution_ids":["https://openalex.org/I4210123216"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5008017709","display_name":"Nenad Trinajsti\u0107","orcid":null},"institutions":[{"id":"https://openalex.org/I4210123216","display_name":"Ru\u0111er Bo\u0161kovi\u0107 Institute","ror":"https://ror.org/02mw21745","country_code":"HR","type":"facility","lineage":["https://openalex.org/I4210123216"]}],"countries":["HR"],"is_corresponding":false,"raw_author_name":"Nenad Trinajsti\u0107","raw_affiliation_strings":["Chemical Research Center, H-1525 Budapest, P.O.B. 17, Hungary, and The Rugjer Bo\u0161kovi\u0107 Institute, HR-10002 Zagreb, P.O.B. 180, Croatia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Research Center, H-1525 Budapest, P.O.B. 17, Hungary, and The Rugjer Bo\u0161kovi\u0107 Institute, HR-10002 Zagreb, P.O.B. 180, Croatia","institution_ids":["https://openalex.org/I4210123216"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5111415372"],"corresponding_institution_ids":["https://openalex.org/I4210123216"],"apc_list":null,"apc_paid":null,"fwci":0.8619,"has_fulltext":false,"cited_by_count":6,"citation_normalized_percentile":{"value":0.7374656,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"43","issue":"4","first_page":"1110","last_page":"1114"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11476","display_name":"Graph theory and applications","score":0.9993000030517578,"subfield":{"id":"https://openalex.org/subfields/2608","display_name":"Geometry and Topology"},"field":{"id":"https://openalex.org/fields/26","display_name":"Mathematics"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11476","display_name":"Graph theory and applications","score":0.9993000030517578,"subfield":{"id":"https://openalex.org/subfields/2608","display_name":"Geometry and Topology"},"field":{"id":"https://openalex.org/fields/26","display_name":"Mathematics"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9954000115394592,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9506999850273132,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/adjacency-matrix","display_name":"Adjacency matrix","score":0.7327454090118408},{"id":"https://openalex.org/keywords/vertex","display_name":"Vertex (graph theory)","score":0.7256343960762024},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.6282844543457031},{"id":"https://openalex.org/keywords/order","display_name":"Order (exchange)","score":0.6020547151565552},{"id":"https://openalex.org/keywords/zero","display_name":"Zero (linguistics)","score":0.4990851879119873},{"id":"https://openalex.org/keywords/combinatorics","display_name":"Combinatorics","score":0.4977565109729767},{"id":"https://openalex.org/keywords/matrix","display_name":"Matrix (chemical analysis)","score":0.42185044288635254},{"id":"https://openalex.org/keywords/atom","display_name":"Atom (system on chip)","score":0.4137410819530487},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.11981415748596191},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.09516140818595886},{"id":"https://openalex.org/keywords/graph","display_name":"Graph","score":0.08382436633110046}],"concepts":[{"id":"https://openalex.org/C180356752","wikidata":"https://www.wikidata.org/wiki/Q727035","display_name":"Adjacency matrix","level":3,"score":0.7327454090118408},{"id":"https://openalex.org/C80899671","wikidata":"https://www.wikidata.org/wiki/Q1304193","display_name":"Vertex (graph theory)","level":3,"score":0.7256343960762024},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.6282844543457031},{"id":"https://openalex.org/C182306322","wikidata":"https://www.wikidata.org/wiki/Q1779371","display_name":"Order (exchange)","level":2,"score":0.6020547151565552},{"id":"https://openalex.org/C2780813799","wikidata":"https://www.wikidata.org/wiki/Q3274237","display_name":"Zero (linguistics)","level":2,"score":0.4990851879119873},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.4977565109729767},{"id":"https://openalex.org/C106487976","wikidata":"https://www.wikidata.org/wiki/Q685816","display_name":"Matrix (chemical analysis)","level":2,"score":0.42185044288635254},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.4137410819530487},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.11981415748596191},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.09516140818595886},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.08382436633110046},{"id":"https://openalex.org/C149635348","wikidata":"https://www.wikidata.org/wiki/Q193040","display_name":"Embedded system","level":1,"score":0.0},{"id":"https://openalex.org/C10138342","wikidata":"https://www.wikidata.org/wiki/Q43015","display_name":"Finance","level":1,"score":0.0},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0},{"id":"https://openalex.org/C41895202","wikidata":"https://www.wikidata.org/wiki/Q8162","display_name":"Linguistics","level":1,"score":0.0},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.0},{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1021/ci025655t","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci025655t","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"},{"id":"pmid:12870900","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/12870900","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"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":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320322192","display_name":"Magyar Tudom\u00e1nyos Akad\u00e9mia","ror":"https://ror.org/02ks8qq67"},{"id":"https://openalex.org/F4320331669","display_name":"Hrvatska Akademija znanosti i umjetnosti","ror":"https://ror.org/03d04qg82"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":4,"referenced_works":["https://openalex.org/W2029245986","https://openalex.org/W2044834685","https://openalex.org/W2171702600","https://openalex.org/W4254397158"],"related_works":["https://openalex.org/W3013650182","https://openalex.org/W2551731678","https://openalex.org/W4249605382","https://openalex.org/W4313491656","https://openalex.org/W3279617","https://openalex.org/W2989283631","https://openalex.org/W2146390824","https://openalex.org/W2800717388","https://openalex.org/W3209493708","https://openalex.org/W2250701745"],"abstract_inverted_index":{"Atomic":[0],"walk":[1,56,64,76,148],"counts":[2,57,77,149],"(awc's)":[3],"of":[4,15,19,54,58,67,72,100,132,150],"order":[5,59,68,134,152],"k":[6,21,60],"(k":[7],">":[8],"or":[9,41,45],"=":[10,42,46],"1)":[11],"are":[12],"the":[13,62,92,98,112,118],"number":[14],"all":[16],"possible":[17],"walks":[18],"length":[20],"which":[22,111],"start":[23],"at":[24,32],"a":[25,87],"specified":[26],"vertex":[27,34,50],"(atom)":[28],"i":[29],"and":[30,74,82,123,130,138],"end":[31],"any":[33],"j":[35],"separated":[36],"by":[37,85],"m":[38,43],"(0":[39],"<":[40,44],"k)":[47],"edges":[48],"from":[49],"i.":[51],"The":[52,70,102],"sum":[53],"atomic":[55,73,147],"is":[61,121,145],"molecular":[63,75],"count":[65],"(mwc)":[66],"k.":[69],"concept":[71],"was":[78],"extended":[79],"to":[80,96,117,157],"zero":[81,151],"negative":[83,133,140],"orders":[84],"using":[86],"backward":[88],"algorithm":[89],"based":[90],"on":[91],"usual":[93],"procedure":[94,103],"used":[95,107],"obtain":[97],"values":[99],"mwc's.":[101],"can":[104],"also":[105],"be":[106,155],"in":[108,110],"cases":[109],"adjacency":[113],"matrix":[114,143],"A":[115,144],"related":[116],"actual":[119],"structure":[120],"singular":[122],"therefore":[124],"A(-1)":[125],"does":[126],"not":[127,154],"exist.":[128],"awc's":[129],"mwc's":[131],"may":[135,153],"assume":[136],"noninteger":[137],"even":[139],"values.":[141],"If":[142],"singular,":[146],"equal":[156],"one.":[158]},"counts_by_year":[{"year":2015,"cited_by_count":2},{"year":2013,"cited_by_count":1}],"updated_date":"2026-06-15T08:34:33.830935","created_date":"2025-10-10T00:00:00"}
