{"id":"https://openalex.org/W2106203863","doi":"https://doi.org/10.5402/2012/260171","title":"A QSPR Study for the Prediction of the pKa of N-Base Ligands and Formation Constant Kc of Bis(2,2\u2032-bipyridine)Platinum(II)-N-Base Adducts Using Quantum Mechanically Derived Descriptors","display_name":"A QSPR Study for the Prediction of the pKa of N-Base Ligands and Formation Constant Kc of Bis(2,2\u2032-bipyridine)Platinum(II)-N-Base Adducts Using Quantum Mechanically Derived Descriptors","publication_year":2012,"publication_date":"2012-10-15","ids":{"openalex":"https://openalex.org/W2106203863","doi":"https://doi.org/10.5402/2012/260171","mag":"2106203863"},"language":"en","primary_location":{"id":"doi:10.5402/2012/260171","doi":"https://doi.org/10.5402/2012/260171","is_oa":true,"landing_page_url":"https://doi.org/10.5402/2012/260171","pdf_url":"https://downloads.hindawi.com/archive/2012/260171.pdf","source":{"id":"https://openalex.org/S4210240281","display_name":"ISRN Physical Chemistry","issn_l":"2090-7761","issn":["2090-7761"],"is_oa":true,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"host_organization":"https://openalex.org/P4310319869","host_organization_name":"Hindawi Publishing Corporation","host_organization_lineage":["https://openalex.org/P4310319869","https://openalex.org/P4310320595"],"host_organization_lineage_names":["Hindawi Publishing Corporation","Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ISRN Physical Chemistry","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"diamond","oa_url":"https://downloads.hindawi.com/archive/2012/260171.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5023139820","display_name":"Selam\u0131 Palaz","orcid":"https://orcid.org/0000-0002-2322-8898","observed_orcids":["https://orcid.org/0000-0002-2322-8898"]},"institutions":[{"id":"https://openalex.org/I80538482","display_name":"Harran University","ror":"https://ror.org/057qfs197","country_code":"TR","type":"education","lineage":["https://openalex.org/I80538482"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"Selami Palaz","raw_affiliation_strings":["Physics Department, Faculty of Sciences and Arts, Harran University, Osmanbey, 63300 Sanliurfa, Turkey"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Physics Department, Faculty of Sciences and Arts, Harran University, Osmanbey, 63300 Sanliurfa, Turkey","institution_ids":["https://openalex.org/I80538482"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016488206","display_name":"Baki T\u00fcrkkan","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I80538482","display_name":"Harran University","ror":"https://ror.org/057qfs197","country_code":"TR","type":"education","lineage":["https://openalex.org/I80538482"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"Baki T\u00fcrkkan","raw_affiliation_strings":["Chemistry Department, Faculty of Sciences and Arts, Harran University, Osmanbey, 63300 Sanliurfa, Turkey"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Department, Faculty of Sciences and Arts, Harran University, Osmanbey, 63300 Sanliurfa, Turkey","institution_ids":["https://openalex.org/I80538482"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5082995136","display_name":"Erol Ero\u011flu","orcid":"https://orcid.org/0000-0002-5401-987X","observed_orcids":["https://orcid.org/0000-0002-5401-987X"]},"institutions":[{"id":"https://openalex.org/I197907453","display_name":"Akdeniz University","ror":"https://ror.org/01m59r132","country_code":"TR","type":"education","lineage":["https://openalex.org/I197907453"]}],"countries":["TR"],"is_corresponding":true,"raw_author_name":"Erol Ero\u011flu","raw_affiliation_strings":["Primary Science Education Department, Faculty of Education, Akdeniz University, Dumlupinar Bulvari, 07058 Antalya, Turkey"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Primary Science Education Department, Faculty of Education, Akdeniz University, Dumlupinar Bulvari, 07058 Antalya, Turkey","institution_ids":["https://openalex.org/I197907453"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5082995136"],"corresponding_institution_ids":["https://openalex.org/I197907453"],"apc_list":null,"apc_paid":null,"fwci":0.1554,"has_fulltext":true,"cited_by_count":6,"citation_normalized_percentile":{"value":0.40511334,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":96},"biblio":{"volume":"2012","issue":null,"first_page":"1","last_page":"11"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.7788000106811523,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.7788000106811523,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10163","display_name":"Metal complexes synthesis and properties","score":0.0828000009059906,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.0478999987244606,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/pka-prediction","display_name":"pKa prediction","score":0.7900000214576721},{"id":"https://openalex.org/keywords/acid-dissociation-constants","display_name":"acid dissociation constants","score":0.9279999732971191},{"id":"https://openalex.org/keywords/pyridine","display_name":"pyridine","score":0.8199999928474426},{"id":"https://openalex.org/keywords/pyrimidines","display_name":"pyrimidines","score":0.9940000176429749},{"id":"https://openalex.org/keywords/purines","display_name":"purines","score":1.0},{"id":"https://openalex.org/keywords/quinoline","display_name":"quinoline","score":1.0},{"id":"https://openalex.org/keywords/platinum-ii-complexes","display_name":"platinum(II) complexes","score":0.871999979019165},{"id":"https://openalex.org/keywords/2-2-bipyridine","display_name":"2,2'-bipyridine","score":0.8650000095367432},{"id":"https://openalex.org/keywords/stability-constants","display_name":"stability constants","score":0.7820000052452087},{"id":"https://openalex.org/keywords/quantitative-structure-property-relationship","display_name":"QSPR","score":0.6650000214576721},{"id":"https://openalex.org/keywords/reactivity-index","display_name":"reactivity indices","score":0.8220000267028809},{"id":"https://openalex.org/keywords/charge-distribution","display_name":"charge distribution","score":0.9729999899864197}],"concepts":[{"id":"https://openalex.org/C2780092901","wikidata":"https://www.wikidata.org/wiki/Q3433612","display_name":"Correlation coefficient","level":2,"score":0.47491464018821716},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.38310563564300537},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3829747140407562},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.16407662630081177},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.15845760703086853}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.5402/2012/260171","doi":"https://doi.org/10.5402/2012/260171","is_oa":true,"landing_page_url":"https://doi.org/10.5402/2012/260171","pdf_url":"https://downloads.hindawi.com/archive/2012/260171.pdf","source":{"id":"https://openalex.org/S4210240281","display_name":"ISRN Physical Chemistry","issn_l":"2090-7761","issn":["2090-7761"],"is_oa":true,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"host_organization":"https://openalex.org/P4310319869","host_organization_name":"Hindawi Publishing Corporation","host_organization_lineage":["https://openalex.org/P4310319869","https://openalex.org/P4310320595"],"host_organization_lineage_names":["Hindawi Publishing Corporation","Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ISRN Physical Chemistry","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.5402/2012/260171","doi":"https://doi.org/10.5402/2012/260171","is_oa":true,"landing_page_url":"https://doi.org/10.5402/2012/260171","pdf_url":"https://downloads.hindawi.com/archive/2012/260171.pdf","source":{"id":"https://openalex.org/S4210240281","display_name":"ISRN Physical Chemistry","issn_l":"2090-7761","issn":["2090-7761"],"is_oa":true,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"host_organization":"https://openalex.org/P4310319869","host_organization_name":"Hindawi Publishing Corporation","host_organization_lineage":["https://openalex.org/P4310319869","https://openalex.org/P4310320595"],"host_organization_lineage_names":["Hindawi Publishing Corporation","Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ISRN Physical Chemistry","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320323377","display_name":"Akdeniz \u00dcniversitesi","ror":"https://ror.org/01m59r132"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2106203863.pdf","grobid_xml":"https://content.openalex.org/works/W2106203863.grobid-xml"},"referenced_works_count":27,"referenced_works":["https://openalex.org/W1483464737","https://openalex.org/W1964755033","https://openalex.org/W1980019773","https://openalex.org/W1980411311","https://openalex.org/W1992680939","https://openalex.org/W1992846457","https://openalex.org/W1995260626","https://openalex.org/W2000827697","https://openalex.org/W2003627424","https://openalex.org/W2019945365","https://openalex.org/W2021410510","https://openalex.org/W2035935880","https://openalex.org/W2045751221","https://openalex.org/W2048138347","https://openalex.org/W2051464752","https://openalex.org/W2056882910","https://openalex.org/W2066745269","https://openalex.org/W2073275733","https://openalex.org/W2077973224","https://openalex.org/W2084786399","https://openalex.org/W2087661061","https://openalex.org/W2092490963","https://openalex.org/W2099105964","https://openalex.org/W2110084674","https://openalex.org/W2330384441","https://openalex.org/W2950915491","https://openalex.org/W3000682903"],"related_works":["https://openalex.org/W7117430130","https://openalex.org/W170332618","https://openalex.org/W2035935880","https://openalex.org/W3082732237","https://openalex.org/W2003655883","https://openalex.org/W2907442341","https://openalex.org/W4386360111","https://openalex.org/W3134493154","https://openalex.org/W7099782907","https://openalex.org/W2995287061"],"abstract_inverted_index":{"Quantitative":[0],"structure-property":[1],"relationship":[2],"(QSPR)":[3],"study":[4],"on":[5],"the":[6,34,54,74,82,85,96,106,118,128,143,153,165,181],"acid":[7,198],"dissociation":[8,199],"constant,":[9,36],"pKa":[10,62,79,182],"of":[11,38,61,78,102,113,124,133,149,160,171,176,201,203],"various":[12],"22":[13],"N-base":[14],"ligands":[15,40,202],"including":[16],"pyridines,":[17],"pyrimidines,":[18],"purines,":[19],"and":[20,30,63,105,116,152,163,188],"quinolines":[21],"has":[22,49],"been":[23,51],"carried":[24],"out":[25],"using":[26],"Codessa":[27],"Pro":[28],"methodology":[29],"software.":[31],"In":[32],"addition,":[33],"formation":[35],"Kc":[37,64,134],"these":[39],"with":[41,53,67,95,142],"Pt(II)":[42],"(bpy)2":[43],"2+":[44],"(bpy":[45],"=":[46],"2,2\u2032-bipyridine)":[47],"ion":[48],"also":[50,136],"modelled":[52],"same":[55],"methodology.":[56],"Linear":[57],"regression":[58],"QSPR":[59,76,131],"models":[60,77,183],"were":[65],"established":[66],"descriptors":[68,177,192],"derived":[69],"from":[70],"AM1":[71],"calculations.":[72],"Among":[73],"obtained":[75],"presented":[80],"in":[81,180],"study,":[83],"statistically":[84],"most":[86,129],"significant":[87,130],"one":[88],"is":[89,135],"a":[90,137],"four":[91,138],"parameters":[92,139],"linear":[93,140],"equation":[94,141],"squared":[97,107,119,144,154,166],"correlation":[98,109,120,145,156,167],"coefficient,":[99,110,121,146,157,168],"R2":[100,147],"values":[101,112,123,148,159,170],"ca.":[103,114,125,150,161,172],"0.95":[104],"cross-validated":[108,155],"Rcv2":[111,158],"0.89,":[115],"external":[117,164],"Rext.2":[122,169],"0.97.":[126],"Statistically":[127],"model":[132,197],"0.75":[151],"0.55,":[162],"0.81.":[173],"An":[174],"analysis":[175],"that":[178,185],"involved":[179],"indicate":[184],"reactivity":[186],"index":[187],"charge":[189],"distribution":[190],"related":[191],"play":[193],"major":[194],"roles":[195],"to":[196],"constant":[200],"N":[204],"bases.":[205]},"counts_by_year":[{"year":2023,"cited_by_count":3},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2013,"cited_by_count":1}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2016-06-24T00:00:00"}
