{"id":"https://openalex.org/W2115102406","doi":"https://doi.org/10.1021/mp400485k","title":"Purely in Silico BCS Classification: Science Based Quality Standards for the World\u2019s Drugs","display_name":"Purely in Silico BCS Classification: Science Based Quality Standards for the World\u2019s Drugs","publication_year":2013,"publication_date":"2013-10-04","ids":{"openalex":"https://openalex.org/W2115102406","doi":"https://doi.org/10.1021/mp400485k","mag":"2115102406","pmid":"https://pubmed.ncbi.nlm.nih.gov/24094040"},"language":"en","primary_location":{"id":"doi:10.1021/mp400485k","doi":"https://doi.org/10.1021/mp400485k","is_oa":false,"landing_page_url":"https://doi.org/10.1021/mp400485k","pdf_url":null,"source":{"id":"https://openalex.org/S204562082","display_name":"Molecular Pharmaceutics","issn_l":"1543-8384","issn":["1543-8384","1543-8392"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","doyens","jufo-2","ki-jl-1","medline","norway-1","poland-140","russia-white-list-1","vabb-shw"],"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":"Molecular Pharmaceutics","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"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/A5029193787","display_name":"Arik Dahan","orcid":"https://orcid.org/0000-0002-3498-3514","observed_orcids":["https://orcid.org/0000-0002-3498-3514"]},"institutions":[{"id":"https://openalex.org/I124227911","display_name":"Ben-Gurion University of the Negev","ror":"https://ror.org/05tkyf982","country_code":"IL","type":"education","lineage":["https://openalex.org/I124227911"]}],"countries":["IL"],"is_corresponding":true,"raw_author_name":"Arik Dahan","raw_affiliation_strings":["Department of Clinical Pharmacology, School of Pharmacy, Faculty of Health Sciences, Ben-Gurion University of the Negev, Beer-Sheva 84105, Israel","Department of Clinical Pharmacology, School of Pharmacy,#R#Faculty of Health Sciences, Ben-Gurion University of the Negev, Beer-Sheva 84105, Israel"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Clinical Pharmacology, School of Pharmacy, Faculty of Health Sciences, Ben-Gurion University of the Negev, Beer-Sheva 84105, Israel","institution_ids":["https://openalex.org/I124227911"]},{"raw_affiliation_string":"Department of Clinical Pharmacology, School of Pharmacy,#R#Faculty of Health Sciences, Ben-Gurion University of the Negev, Beer-Sheva 84105, Israel","institution_ids":["https://openalex.org/I124227911"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028492771","display_name":"Omri Wolk","orcid":"https://orcid.org/0000-0003-0819-2791","observed_orcids":["https://orcid.org/0000-0003-0819-2791"]},"institutions":[{"id":"https://openalex.org/I124227911","display_name":"Ben-Gurion University of the Negev","ror":"https://ror.org/05tkyf982","country_code":"IL","type":"education","lineage":["https://openalex.org/I124227911"]}],"countries":["IL"],"is_corresponding":false,"raw_author_name":"Omri Wolk","raw_affiliation_strings":["Department of Clinical Pharmacology, School of Pharmacy, Faculty of Health Sciences, Ben-Gurion University of the Negev, Beer-Sheva 84105, Israel","Department of Clinical Pharmacology, School of Pharmacy,#R#Faculty of Health Sciences, Ben-Gurion University of the Negev, Beer-Sheva 84105, Israel"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Clinical Pharmacology, School of Pharmacy, Faculty of Health Sciences, Ben-Gurion University of the Negev, Beer-Sheva 84105, Israel","institution_ids":["https://openalex.org/I124227911"]},{"raw_affiliation_string":"Department of Clinical Pharmacology, School of Pharmacy,#R#Faculty of Health Sciences, Ben-Gurion University of the Negev, Beer-Sheva 84105, Israel","institution_ids":["https://openalex.org/I124227911"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100345268","display_name":"Young Hoon Kim","orcid":"https://orcid.org/0000-0001-5554-3828","observed_orcids":["https://orcid.org/0000-0001-5554-3828"]},"institutions":[{"id":"https://openalex.org/I118406505","display_name":"Ministry of Food and Drug Safety","ror":"https://ror.org/01f7dp456","country_code":"KR","type":"government","lineage":["https://openalex.org/I118406505"]},{"id":"https://openalex.org/I27837315","display_name":"University of Michigan","ror":"https://ror.org/00jmfr291","country_code":"US","type":"education","lineage":["https://openalex.org/I27837315"]}],"countries":["KR","US"],"is_corresponding":false,"raw_author_name":"Young Hoon Kim","raw_affiliation_strings":["Department of Pharmaceutical Sciences, College of Pharmacy, University of Michigan, Ann Arbor, Michigan 48109, United States","Korea Food and Drug Administration, Seoul, South Korea","Department#R#of Pharmaceutical Sciences, College of Pharmacy, University of Michigan, Ann Arbor, Michigan 48109, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, College of Pharmacy, University of Michigan, Ann Arbor, Michigan 48109, United States","institution_ids":["https://openalex.org/I27837315"]},{"raw_affiliation_string":"Korea Food and Drug Administration, Seoul, South Korea","institution_ids":["https://openalex.org/I118406505"]},{"raw_affiliation_string":"Department#R#of Pharmaceutical Sciences, College of Pharmacy, University of Michigan, Ann Arbor, Michigan 48109, United States","institution_ids":["https://openalex.org/I27837315"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5033052131","display_name":"Chandrasekharan Ramachandran","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I27837315","display_name":"University of Michigan","ror":"https://ror.org/00jmfr291","country_code":"US","type":"education","lineage":["https://openalex.org/I27837315"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Chandrasekharan Ramachandran","raw_affiliation_strings":["Department of Pharmaceutical Sciences, College of Pharmacy, University of Michigan, Ann Arbor, Michigan 48109, United States","Department#R#of Pharmaceutical Sciences, College of Pharmacy, University of Michigan,#R#Ann Arbor, Michigan 48109, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, College of Pharmacy, University of Michigan, Ann Arbor, Michigan 48109, United States","institution_ids":["https://openalex.org/I27837315"]},{"raw_affiliation_string":"Department#R#of Pharmaceutical Sciences, College of Pharmacy, University of Michigan,#R#Ann Arbor, Michigan 48109, United States","institution_ids":["https://openalex.org/I27837315"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5108390238","display_name":"Gordon M. Crippen","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I27837315","display_name":"University of Michigan","ror":"https://ror.org/00jmfr291","country_code":"US","type":"education","lineage":["https://openalex.org/I27837315"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Gordon M. Crippen","raw_affiliation_strings":["Department of Pharmaceutical Sciences, College of Pharmacy, University of Michigan, Ann Arbor, Michigan 48109, United States","Department#R#of Pharmaceutical Sciences, College of Pharmacy, University of Michigan,#R#Ann Arbor, Michigan 48109, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, College of Pharmacy, University of Michigan, Ann Arbor, Michigan 48109, United States","institution_ids":["https://openalex.org/I27837315"]},{"raw_affiliation_string":"Department#R#of Pharmaceutical Sciences, College of Pharmacy, University of Michigan,#R#Ann Arbor, Michigan 48109, United States","institution_ids":["https://openalex.org/I27837315"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049821646","display_name":"Toshihide Takagi","orcid":"https://orcid.org/0000-0003-1199-4015","observed_orcids":["https://orcid.org/0000-0003-1199-4015"]},"institutions":[{"id":"https://openalex.org/I27837315","display_name":"University of Michigan","ror":"https://ror.org/00jmfr291","country_code":"US","type":"education","lineage":["https://openalex.org/I27837315"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Toshihide Takagi","raw_affiliation_strings":["Department of Pharmaceutical Sciences, College of Pharmacy, University of Michigan, Ann Arbor, Michigan 48109, United States","Department#R#of Pharmaceutical Sciences, College of Pharmacy, University of Michigan,#R#Ann Arbor, Michigan 48109, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, College of Pharmacy, University of Michigan, Ann Arbor, Michigan 48109, United States","institution_ids":["https://openalex.org/I27837315"]},{"raw_affiliation_string":"Department#R#of Pharmaceutical Sciences, College of Pharmacy, University of Michigan,#R#Ann Arbor, Michigan 48109, United States","institution_ids":["https://openalex.org/I27837315"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5031225531","display_name":"Marival Bermejo","orcid":"https://orcid.org/0000-0001-5022-0544","observed_orcids":["https://orcid.org/0000-0001-5022-0544"]},"institutions":[{"id":"https://openalex.org/I111262870","display_name":"Universitat de Miguel Hern\u00e1ndez d'Elx","ror":"https://ror.org/01azzms13","country_code":"ES","type":"education","lineage":["https://openalex.org/I111262870"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Marival Bermejo","raw_affiliation_strings":["Department of Engineering, Pharmacy Section, Miguel Hernandez University, Alicante, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Engineering, Pharmacy Section, Miguel Hernandez University, Alicante, Spain","institution_ids":["https://openalex.org/I111262870"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5085453188","display_name":"Gordon L. Amidon","orcid":"https://orcid.org/0000-0003-0355-911X","observed_orcids":["https://orcid.org/0000-0003-0355-911X"]},"institutions":[{"id":"https://openalex.org/I27837315","display_name":"University of Michigan","ror":"https://ror.org/00jmfr291","country_code":"US","type":"education","lineage":["https://openalex.org/I27837315"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Gordon L. Amidon","raw_affiliation_strings":["Department of Pharmaceutical Sciences, College of Pharmacy, University of Michigan, Ann Arbor, Michigan 48109, United States","Department#R#of Pharmaceutical Sciences, College of Pharmacy, University of Michigan,#R#Ann Arbor, Michigan 48109, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, College of Pharmacy, University of Michigan, Ann Arbor, Michigan 48109, United States","institution_ids":["https://openalex.org/I27837315"]},{"raw_affiliation_string":"Department#R#of Pharmaceutical Sciences, College of Pharmacy, University of Michigan,#R#Ann Arbor, Michigan 48109, United States","institution_ids":["https://openalex.org/I27837315"]}]}],"institutions":[],"countries_distinct_count":4,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5029193787"],"corresponding_institution_ids":["https://openalex.org/I124227911"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":3.7223,"has_fulltext":false,"cited_by_count":74,"citation_normalized_percentile":{"value":0.94716981,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":93,"max":99},"biblio":{"volume":"10","issue":"11","first_page":"4378","last_page":"4390"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.6547999978065491,"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":0.6547999978065491,"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/T10256","display_name":"Drug Solubulity and Delivery Systems","score":0.31929999589920044,"subfield":{"id":"https://openalex.org/subfields/3003","display_name":"Pharmaceutical Science"},"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/T10570","display_name":"Drug Transport and Resistance Mechanisms","score":0.0013000000035390258,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/biopharmaceutics-classification-system","display_name":"Biopharmaceutics Classification System","score":0.9390000104904175},{"id":"https://openalex.org/keywords/oral-medication","display_name":"oral medication","score":0.5339999794960022},{"id":"https://openalex.org/keywords/who-model-list-of-essential-medicines","display_name":"WHO Model List of Essential Medicines","score":0.8080000281333923},{"id":"https://openalex.org/keywords/group-contribution-method","display_name":"group contribution method","score":0.5830000042915344},{"id":"https://openalex.org/keywords/partition-coefficient","display_name":"partition coefficient","score":0.6899999976158142},{"id":"https://openalex.org/keywords/melting-point","display_name":"melting point","score":0.6830000281333923},{"id":"https://openalex.org/keywords/generic-drug-development","display_name":"generic drug development","score":0.6629999876022339},{"id":"https://openalex.org/keywords/pharmaceutical-quality-standards","display_name":"pharmaceutical quality standards","score":0.6349999904632568}],"concepts":[{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.9142478108406067},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.44439664483070374},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.42626190185546875},{"id":"https://openalex.org/C155574463","wikidata":"https://www.wikidata.org/wiki/Q170731","display_name":"Solubility","level":2,"score":0.4167743921279907},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.40832147002220154},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.3102905750274658},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3067237138748169},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.240568608045578},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2233443260192871},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.1216803789138794},{"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/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D006113","descriptor_name":"United Kingdom","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007557","descriptor_name":"Israel","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007564","descriptor_name":"Japan","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008790","descriptor_name":"Metoprolol","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D012995","descriptor_name":"Solubility","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013030","descriptor_name":"Spain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014481","descriptor_name":"United States","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056910","descriptor_name":"Republic of Korea","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/mp400485k","doi":"https://doi.org/10.1021/mp400485k","is_oa":false,"landing_page_url":"https://doi.org/10.1021/mp400485k","pdf_url":null,"source":{"id":"https://openalex.org/S204562082","display_name":"Molecular Pharmaceutics","issn_l":"1543-8384","issn":["1543-8384","1543-8392"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","doyens","jufo-2","ki-jl-1","medline","norway-1","poland-140","russia-white-list-1","vabb-shw"],"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":"Molecular Pharmaceutics","raw_type":"journal-article"},{"id":"pmid:24094040","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/24094040","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":"Molecular pharmaceutics","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.6240000128746033,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":65,"referenced_works":["https://openalex.org/W226920271","https://openalex.org/W1486888545","https://openalex.org/W1498305210","https://openalex.org/W1499935265","https://openalex.org/W1501372585","https://openalex.org/W1526950891","https://openalex.org/W1559370499","https://openalex.org/W1584680823","https://openalex.org/W1603855465","https://openalex.org/W1876723467","https://openalex.org/W1909691387","https://openalex.org/W1971181330","https://openalex.org/W1973151798","https://openalex.org/W1976113035","https://openalex.org/W1987825764","https://openalex.org/W1992178923","https://openalex.org/W1998593954","https://openalex.org/W2000442643","https://openalex.org/W2007052092","https://openalex.org/W2007311426","https://openalex.org/W2013849688","https://openalex.org/W2019879138","https://openalex.org/W2020853269","https://openalex.org/W2021263341","https://openalex.org/W2028133542","https://openalex.org/W2033125750","https://openalex.org/W2034200280","https://openalex.org/W2046441392","https://openalex.org/W2048312836","https://openalex.org/W2049222379","https://openalex.org/W2053400524","https://openalex.org/W2054666684","https://openalex.org/W2055791131","https://openalex.org/W2060992818","https://openalex.org/W2064288191","https://openalex.org/W2065918526","https://openalex.org/W2066273100","https://openalex.org/W2072922667","https://openalex.org/W2077371309","https://openalex.org/W2079197876","https://openalex.org/W2080561646","https://openalex.org/W2082915359","https://openalex.org/W2089118929","https://openalex.org/W2090138592","https://openalex.org/W2091015790","https://openalex.org/W2092538548","https://openalex.org/W2093752331","https://openalex.org/W2096463688","https://openalex.org/W2097275187","https://openalex.org/W2101171473","https://openalex.org/W2102221021","https://openalex.org/W2112722416","https://openalex.org/W2124278256","https://openalex.org/W2129827408","https://openalex.org/W2134289054","https://openalex.org/W2142400726","https://openalex.org/W2153785467","https://openalex.org/W2155020314","https://openalex.org/W2155451228","https://openalex.org/W2161915811","https://openalex.org/W2169333823","https://openalex.org/W2171654601","https://openalex.org/W2314676720","https://openalex.org/W2604060680","https://openalex.org/W3175318380"],"related_works":["https://openalex.org/W7033627029","https://openalex.org/W2013849688","https://openalex.org/W2112722416","https://openalex.org/W2318169591","https://openalex.org/W4405151796","https://openalex.org/W1971181330","https://openalex.org/W2047575785","https://openalex.org/W1593557347","https://openalex.org/W2155451228","https://openalex.org/W2541939383"],"abstract_inverted_index":{"BCS":[0,440],"classification":[1,212,441],"is":[2,427],"a":[3,57,88,451],"vital":[4],"tool":[5],"in":[6,36,41,85,129,143,181,208,216,242,270,324,334,338,352,365,380,397,423,494,509,527],"the":[7,25,33,46,63,74,77,94,122,130,138,144,170,179,197,204,214,224,237,243,279,327,358,368,377,389,412,420,443,475,501,519],"development":[8,520],"of":[9,18,102,134,164,223,236,253,278,376,435,474,493,503,523],"both":[10,405,528],"generic":[11,524],"and":[12,51,56,66,97,112,137,157,173,185,233,256,260,265,283,299,319,386,407,455,484,487,517,521,530],"innovative":[13],"drug":[14,126,141,525],"products.":[15],"The":[16,100,245,268,311],"purpose":[17],"this":[19],"work":[20],"was":[21,71,83,105,167,219],"to":[22,32,109,119,326,332,351,357,367,403,415,442,461],"provisionally":[23,120,462],"classify":[24,121,463],"world's":[26,476],"top":[27,285],"selling":[28,286],"oral":[29,140],"drugs":[30,166,175,202,227,241,255,287,323,337,346,465,478],"according":[31],"BCS,":[34,354],"using":[35,87,178,207],"silico":[37,42,86,182,209,217,271,353,381,398,424],"methods.":[38,445],"Three":[39],"different":[40,180,215,269],"methods":[43,184,218,273,399],"were":[44,176,262,288,292,296,301,384],"examined:":[45],"well-established":[47],"group":[48],"contribution":[49,53,68],"(CLogP)":[50],"atom":[52],"(ALogP)":[54],"methods,":[55],"new":[58],"method":[59,104,118,425],"based":[60,428],"solely":[61],"on":[62,93,429],"molecular":[64,430,436,468],"formula":[65,431],"element":[67],"(KLogP).":[69],"Metoprolol":[70],"used":[72,116,336,402,460],"as":[73,189,191,347],"benchmark":[75,361,371],"for":[76,200,221,234,362,491],"low/high":[78],"permeability":[79,183,272,370,406],"class":[80,289,293,297,302,317,321,348,485],"boundary.":[81],"Solubility":[82],"estimated":[84,456],"thermodynamic":[89],"equation":[90],"that":[91,426],"relies":[92],"partition":[95],"coefficient":[96],"melting":[98,453],"point.":[99],"validity":[101],"each":[103,117],"affirmed":[106],"by":[107],"comparison":[108,325,366],"reference":[110,226,240],"data":[111],"literature.":[113],"We":[114],"then":[115],"orally":[123],"administered,":[124],"IR":[125],"products":[127,142,526],"found":[128],"WHO":[131,312],"Model":[132],"list":[133,163,313],"Essential":[135],"Medicines,":[136],"top-selling":[139,477],"United":[145],"States":[146],"(US),":[147],"Great":[148],"Britain":[149],"(GB),":[150],"Spain":[151],"(ES),":[152],"Israel":[153],"(IL),":[154],"Japan":[155],"(JP),":[156],"South":[158],"Korea":[159],"(KR).":[160],"A":[161],"combined":[162,205,449],"363":[165,378],"compiled":[168],"from":[169,203,466],"various":[171],"lists,":[172,329],"257":[174],"classified":[177,344],"literature":[186,390],"solubility":[187,198,382,391],"data,":[188],"well":[190],"BDDCS":[192,343],"classification.":[193],"Lastly,":[194],"we":[195],"calculated":[196],"values":[199,252,383],"185":[201,374],"set":[206],"approach.":[210],"Permeability":[211],"with":[213,228,432,450,507],"correct":[220],"69-72.4%":[222],"29":[225],"known":[229],"human":[230,505],"jejunal":[231],"permeability,":[232],"84.6-92.9%":[235],"14":[238],"FDA":[239],"set.":[244],"correlations":[246],"(r(2))":[247],"between":[248],"experimental":[249,416],"log":[250],"P":[251],"154":[254],"their":[257,515],"CLogP,":[258],"ALogP":[259],"KLogP":[261],"0.97,":[263],"0.82":[264],"0.71,":[266],"respectively.":[267],"produced":[274,411,438],"comparable":[275,439],"results:":[276],"30-34%":[277],"US,":[280],"GB,":[281],"ES":[282],"IL":[284],"1,":[290],"27-36.4%":[291],"2,":[294],"22-25.5%":[295],"3,":[298],"5.46-14%":[300],"4":[303],"drugs,":[304,379,500],"while":[305],"\u223c8%":[306],"could":[307],"not":[308],"be":[309,401,459],"classified.":[310],"included":[314],"significantly":[315],"less":[316],"1":[318,349,483],"more":[320,345,359],"3":[322],"countries'":[328],"probably":[330],"due":[331,356],"differences":[333],"commonly":[335],"developing":[339,531],"vs":[340],"industrial":[341,529],"countries.":[342,532],"compared":[350],"likely":[355],"lax":[360],"metabolism":[363],"(70%),":[364],"strict":[369],"(metoprolol).":[372],"For":[373,498],"out":[375],"calculated,":[385],"successfully":[387],"matched":[388],"data.":[392],"In":[393],"conclusion,":[394],"relatively":[395],"simple":[396],"can":[400,458],"estimate":[404],"solubility.":[408],"While":[409],"CLogP":[410],"best":[413],"correlation":[414],"values,":[417],"even":[418,470],"KLogP,":[419,447],"most":[421],"simplified":[422],"no":[433],"knowledge":[434],"structure,":[437],"sophisticated":[444],"This":[446],"when":[448],"mean":[452],"point":[454],"dose,":[457],"potential":[464],"just":[467],"formula,":[469],"before":[471],"synthesis.":[472],"49-59%":[473],"are":[479,488],"highly":[480],"soluble":[481],"(class":[482],"3),":[486],"therefore":[489],"candidates":[490],"waivers":[492],"vivo":[495],"bioequivalence":[496],"studies.":[497],"these":[499],"replacement":[502],"expensive":[504],"studies":[506],"affordable":[508],"vitro":[510],"dissolution":[511],"tests":[512],"would":[513],"ensure":[514],"bioequivalence,":[516],"encourage":[518],"availability":[522]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":6},{"year":2021,"cited_by_count":6},{"year":2020,"cited_by_count":7},{"year":2019,"cited_by_count":4},{"year":2018,"cited_by_count":13},{"year":2017,"cited_by_count":8},{"year":2016,"cited_by_count":6},{"year":2015,"cited_by_count":10},{"year":2014,"cited_by_count":6}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2016-06-24T00:00:00"}
