{"id":"https://openalex.org/W2183855488","doi":null,"title":"A comparison of theoretical methods of calculation of partition coefficients for selected drugs.","display_name":"A comparison of theoretical methods of calculation of partition coefficients for selected drugs.","publication_year":2006,"publication_date":"2006-05-01","ids":{"openalex":"https://openalex.org/W2183855488","mag":"2183855488","pmid":"https://pubmed.ncbi.nlm.nih.gov/20085219"},"language":"en","primary_location":{"id":"pmid:20085219","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/20085219","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,"listed_in":[],"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":"Acta poloniae pharmaceutica","raw_type":"Comparative Study"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["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/A5069402211","display_name":"Alina Pyka","orcid":"https://orcid.org/0000-0003-2672-7489","observed_orcids":["https://orcid.org/0000-0003-2672-7489"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Alina Pyka","raw_affiliation_strings":["Silesian Academy of Medicine, Faculty of Pharmacy, Department of Analytical Chemistry, Sosnowiec, Poland. alinapyka@wp.pl"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Silesian Academy of Medicine, Faculty of Pharmacy, Department of Analytical Chemistry, Sosnowiec, Poland. alinapyka@wp.pl","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5000572089","display_name":"Magdalena Babu\u015bka","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Magdalena Babu\u015bka","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5057184692","display_name":"Magdalena Zachariasz","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Magdalena Zachariasz","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.2902,"has_fulltext":false,"cited_by_count":70,"citation_normalized_percentile":{"value":0.48066058,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":99},"biblio":{"volume":"63","issue":"3","first_page":"159","last_page":"67"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9945999979972839,"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":0.9945999979972839,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.0006000000284984708,"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"}},{"id":"https://openalex.org/T11908","display_name":"Protein Interaction Studies and Fluorescence Analysis","score":0.0003000000142492354,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/lipophilicity","display_name":"lipophilicity","score":0.7250000238418579},{"id":"https://openalex.org/keywords/octanol-water-partition-coefficient","display_name":"octanol-water partition coefficient","score":0.8809999823570251},{"id":"https://openalex.org/keywords/logd","display_name":"logD","score":0.5009999871253967},{"id":"https://openalex.org/keywords/drug-prediction","display_name":"drug prediction","score":0.4869999885559082},{"id":"https://openalex.org/keywords/clogp","display_name":"ClogP","score":0.9369999766349792}],"concepts":[{"id":"https://openalex.org/C192552737","wikidata":"https://www.wikidata.org/wiki/Q898797","display_name":"Partition coefficient","level":2,"score":0.7996666431427002},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.79767906665802},{"id":"https://openalex.org/C201399114","wikidata":"https://www.wikidata.org/wiki/Q898401","display_name":"Lipophilicity","level":2,"score":0.7083891034126282},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.30260640382766724},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.1471005082130432}],"mesh":[{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D008962","descriptor_name":"Models, Theoretical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012995","descriptor_name":"Solubility","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013678","descriptor_name":"Technology, Pharmaceutical","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D020003","descriptor_name":"1-Octanol","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"pmid:20085219","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/20085219","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,"listed_in":[],"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":"Acta poloniae pharmaceutica","raw_type":"Comparative Study"},{"id":"mag:2183855488","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/20085219","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,"listed_in":[],"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":null,"is_accepted":false,"is_published":false,"raw_source_name":"PubMed","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2011580633","https://openalex.org/W2084486503","https://openalex.org/W4390006090","https://openalex.org/W2994986327","https://openalex.org/W210395626","https://openalex.org/W2387230517","https://openalex.org/W1973428197","https://openalex.org/W43770933","https://openalex.org/W2313968233","https://openalex.org/W3207855061"],"abstract_inverted_index":{"Hundred":[0],"ninety":[1],"three":[2],"drugs":[3,110],"of":[4,11,16,35,79,92,95,103],"different":[5,36],"pharmacological":[6],"activity":[7],"were":[8,28,50],"studied.":[9],"Lipophilicity":[10],"a":[12],"drug":[13],"is":[14],"one":[15],"the":[17,70,90,93,101],"parameters,":[18],"which":[19],"influence":[20],"its":[21],"biological":[22],"activity.":[23],"The":[24],"n-octanol-water":[25,54,97],"partition":[26,48,55,67,74,98],"coefficients":[27,49,56,68,75,99],"calculated":[29,76],"for":[30,58,108],"these":[31],"compounds":[32],"by":[33,77],"use":[34,78],"theoretical":[37,47,73],"procedures":[38],"(AlogPs,":[39],"IAlogP,":[40],"miLogP,":[41],"ClogP,":[42],"logP(Kowwin),":[43,104],"and":[44,81,106,127],"xlogP).":[45],"Particular":[46],"compared":[51],"with":[52,72],"experimental":[53,66,96],"(logP(exp))":[57],"all":[59],"studied":[60],"drugs.":[61],"It":[62,84],"was":[63,85],"shown":[64,86],"that":[65,87],"correlate":[69],"best":[71],"logP(Kowwin)":[80],"AlogPs":[82],"methods.":[83],"it":[88],"exists":[89],"possibility":[91],"prediction":[94],"on":[100],"basis":[102],"AlogPs,":[105],"ClogP":[107],"fifteen":[109],"(adrenalin,":[111],"clobazam,":[112],"5,5-dimethylbarbituric":[113],"acid,":[114],"ethyl":[115],"nicotinate,":[116],"fluphenazine,":[117],"ibuprofen,":[118],"methyllorazepam,":[119],"pimozide,":[120],"prednisolone,":[121],"promethazine,":[122],"spironolactone,":[123],"surital,":[124],"theophylline,":[125],"triamterene,":[126],"trimethoprim).":[128]},"counts_by_year":[{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":6},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":9},{"year":2020,"cited_by_count":13},{"year":2019,"cited_by_count":7},{"year":2018,"cited_by_count":6},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":6},{"year":2013,"cited_by_count":2}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2016-06-24T00:00:00"}