{"id":"https://openalex.org/W1985276638","doi":"https://doi.org/10.1007/s10822-013-9677-z","title":"An approximation of the Cioslowski\u2013Mixon bond order indexes using the AlteQ approach","display_name":"An approximation of the Cioslowski\u2013Mixon bond order indexes using the AlteQ approach","publication_year":2013,"publication_date":"2013-09-01","ids":{"openalex":"https://openalex.org/W1985276638","doi":"https://doi.org/10.1007/s10822-013-9677-z","mag":"1985276638","pmid":"https://pubmed.ncbi.nlm.nih.gov/24077885"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-013-9677-z","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-013-9677-z","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","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/A5066705601","display_name":"E.S. Salmina","orcid":"https://orcid.org/0000-0002-3526-4378"},"institutions":[{"id":"https://openalex.org/I4210104350","display_name":"Institute of Organic Synthesis","ror":"https://ror.org/019tvvb70","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210104350","https://openalex.org/I4210145551"]},{"id":"https://openalex.org/I4210119369","display_name":"Ural Branch of the Russian Academy of Sciences","ror":"https://ror.org/02s4h3z39","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210119369"]}],"countries":["RU"],"is_corresponding":true,"raw_author_name":"Elena Salmina","raw_affiliation_strings":["Institute of Organic Synthesis, Ural Branch of the Russian Academy of Sciences, 620069, Ekaterinburg, Russia","Ural Branch of the Russian Academy of Sciences"],"affiliations":[{"raw_affiliation_string":"Institute of Organic Synthesis, Ural Branch of the Russian Academy of Sciences, 620069, Ekaterinburg, Russia","institution_ids":["https://openalex.org/I4210119369","https://openalex.org/I4210104350"]},{"raw_affiliation_string":"Ural Branch of the Russian Academy of Sciences","institution_ids":["https://openalex.org/I4210119369"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037290428","display_name":"Maria Grishina","orcid":"https://orcid.org/0000-0002-2573-4831"},"institutions":[{"id":"https://openalex.org/I4210093938","display_name":"Ural State Medical University","ror":"https://ror.org/00fycgp36","country_code":"RU","type":"education","lineage":["https://openalex.org/I4210093938"]},{"id":"https://openalex.org/I2802878566","display_name":"Chelyabinsk State Medical Academy","ror":"https://ror.org/05srfkv34","country_code":"RU","type":"education","lineage":["https://openalex.org/I2802878566"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Maria A. Grishina","raw_affiliation_strings":["Pharmaceutical Department, South Ural State Medical University, 454048, Chelyabinsk, Russia","South Ural State Medical university"],"affiliations":[{"raw_affiliation_string":"Pharmaceutical Department, South Ural State Medical University, 454048, Chelyabinsk, Russia","institution_ids":["https://openalex.org/I4210093938","https://openalex.org/I2802878566"]},{"raw_affiliation_string":"South Ural State Medical university","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5032912231","display_name":"Vladimir Potemkin","orcid":"https://orcid.org/0000-0002-5244-8718"},"institutions":[{"id":"https://openalex.org/I2802878566","display_name":"Chelyabinsk State Medical Academy","ror":"https://ror.org/05srfkv34","country_code":"RU","type":"education","lineage":["https://openalex.org/I2802878566"]},{"id":"https://openalex.org/I4210093938","display_name":"Ural State Medical University","ror":"https://ror.org/00fycgp36","country_code":"RU","type":"education","lineage":["https://openalex.org/I4210093938"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Vladimir A. Potemkin","raw_affiliation_strings":["Pharmaceutical Department, South Ural State Medical University, 454048, Chelyabinsk, Russia","South Ural State Medical university"],"affiliations":[{"raw_affiliation_string":"Pharmaceutical Department, South Ural State Medical University, 454048, Chelyabinsk, Russia","institution_ids":["https://openalex.org/I4210093938","https://openalex.org/I2802878566"]},{"raw_affiliation_string":"South Ural State Medical university","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5066705601"],"corresponding_institution_ids":["https://openalex.org/I4210104350","https://openalex.org/I4210119369"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":0.3432,"has_fulltext":false,"cited_by_count":10,"citation_normalized_percentile":{"value":0.70558851,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"27","issue":"9","first_page":"793","last_page":"805"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10798","display_name":"Crystallography and molecular interactions","score":1.0,"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"}},"topics":[{"id":"https://openalex.org/T10798","display_name":"Crystallography and molecular interactions","score":1.0,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9994999766349792,"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/T12852","display_name":"Chemical Thermodynamics and Molecular Structure","score":0.9991999864578247,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5805157423019409},{"id":"https://openalex.org/keywords/covalent-bond","display_name":"Covalent bond","score":0.5316399335861206},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.5126966238021851},{"id":"https://openalex.org/keywords/electron-density","display_name":"Electron density","score":0.5048595070838928},{"id":"https://openalex.org/keywords/resolution","display_name":"Resolution (logic)","score":0.48756760358810425},{"id":"https://openalex.org/keywords/bond-order","display_name":"Bond order","score":0.47324854135513306},{"id":"https://openalex.org/keywords/range","display_name":"Range (aeronautics)","score":0.45899301767349243},{"id":"https://openalex.org/keywords/order","display_name":"Order (exchange)","score":0.4272107183933258},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.4187154769897461},{"id":"https://openalex.org/keywords/bond-length","display_name":"Bond length","score":0.3738313913345337},{"id":"https://openalex.org/keywords/electron","display_name":"Electron","score":0.36796823143959045},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.352769672870636},{"id":"https://openalex.org/keywords/molecular-physics","display_name":"Molecular physics","score":0.35137343406677246},{"id":"https://openalex.org/keywords/crystallography","display_name":"Crystallography","score":0.3487909138202667},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.3004330098628998},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.24658295512199402},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.16402745246887207},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.1564016044139862},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.08663558959960938}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5805157423019409},{"id":"https://openalex.org/C180577832","wikidata":"https://www.wikidata.org/wiki/Q127920","display_name":"Covalent bond","level":2,"score":0.5316399335861206},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.5126966238021851},{"id":"https://openalex.org/C125485243","wikidata":"https://www.wikidata.org/wiki/Q905186","display_name":"Electron density","level":3,"score":0.5048595070838928},{"id":"https://openalex.org/C138268822","wikidata":"https://www.wikidata.org/wiki/Q1051925","display_name":"Resolution (logic)","level":2,"score":0.48756760358810425},{"id":"https://openalex.org/C124600460","wikidata":"https://www.wikidata.org/wiki/Q842809","display_name":"Bond order","level":4,"score":0.47324854135513306},{"id":"https://openalex.org/C204323151","wikidata":"https://www.wikidata.org/wiki/Q905424","display_name":"Range (aeronautics)","level":2,"score":0.45899301767349243},{"id":"https://openalex.org/C182306322","wikidata":"https://www.wikidata.org/wiki/Q1779371","display_name":"Order (exchange)","level":2,"score":0.4272107183933258},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.4187154769897461},{"id":"https://openalex.org/C155860418","wikidata":"https://www.wikidata.org/wiki/Q863695","display_name":"Bond length","level":3,"score":0.3738313913345337},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.36796823143959045},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.352769672870636},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.35137343406677246},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.3487909138202667},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3004330098628998},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.24658295512199402},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.16402745246887207},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.1564016044139862},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.08663558959960938},{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0},{"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/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","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}],"mesh":[{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004583","descriptor_name":"Electrons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004583","descriptor_name":"Electrons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004583","descriptor_name":"Electrons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-013-9677-z","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-013-9677-z","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:24077885","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/24077885","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 computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":48,"referenced_works":["https://openalex.org/W1597773817","https://openalex.org/W1650728208","https://openalex.org/W1703910647","https://openalex.org/W1805515744","https://openalex.org/W1964517560","https://openalex.org/W1967824245","https://openalex.org/W1968392598","https://openalex.org/W1971292001","https://openalex.org/W1972897900","https://openalex.org/W1973815774","https://openalex.org/W1985740490","https://openalex.org/W1986244945","https://openalex.org/W1989020966","https://openalex.org/W1989336284","https://openalex.org/W1990062833","https://openalex.org/W1992060924","https://openalex.org/W2000872531","https://openalex.org/W2010861052","https://openalex.org/W2016820038","https://openalex.org/W2016965940","https://openalex.org/W2017135095","https://openalex.org/W2022950330","https://openalex.org/W2023045222","https://openalex.org/W2026234643","https://openalex.org/W2027685981","https://openalex.org/W2032166467","https://openalex.org/W2034704334","https://openalex.org/W2035091809","https://openalex.org/W2035540344","https://openalex.org/W2036259126","https://openalex.org/W2036357996","https://openalex.org/W2037308395","https://openalex.org/W2039722400","https://openalex.org/W2041354928","https://openalex.org/W2042038989","https://openalex.org/W2042944554","https://openalex.org/W2050833490","https://openalex.org/W2060222759","https://openalex.org/W2065839048","https://openalex.org/W2078409902","https://openalex.org/W2094270770","https://openalex.org/W2142879084","https://openalex.org/W2147273581","https://openalex.org/W2913773610","https://openalex.org/W3009331727","https://openalex.org/W3092604124","https://openalex.org/W4253602554","https://openalex.org/W4388166534"],"related_works":["https://openalex.org/W1966333591","https://openalex.org/W2605384575","https://openalex.org/W2011714921","https://openalex.org/W2017637655","https://openalex.org/W2017831542","https://openalex.org/W2601244803","https://openalex.org/W2067912074","https://openalex.org/W1974285054","https://openalex.org/W2109645123","https://openalex.org/W4212894527"],"abstract_inverted_index":null,"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":2},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}