{"id":"https://openalex.org/W1562347366","doi":"https://doi.org/10.1023/a:1011111506388","title":"COSMO-RS: A novel view to physiological solvation and partition questions","display_name":"COSMO-RS: A novel view to physiological solvation and partition questions","publication_year":2001,"publication_date":"2001-04-01","ids":{"openalex":"https://openalex.org/W1562347366","doi":"https://doi.org/10.1023/a:1011111506388","mag":"1562347366","pmid":"https://pubmed.ncbi.nlm.nih.gov/11349817"},"language":"en","primary_location":{"id":"doi:10.1023/a:1011111506388","is_oa":false,"landing_page_url":"https://doi.org/10.1023/a:1011111506388","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/A5071201468","display_name":"Andreas Klamt","orcid":"https://orcid.org/0000-0002-5320-6219"},"institutions":[{"id":"https://openalex.org/I4210155030","display_name":"Klinikum Leverkusen","ror":"https://ror.org/05mt2wq31","country_code":"DE","type":"healthcare","lineage":["https://openalex.org/I4210155030"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Andreas Klamt","raw_affiliation_strings":["COSMOlogic GmbH&CoKG, Leverkusen, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"COSMOlogic GmbH&CoKG, Leverkusen, Germany","institution_ids":["https://openalex.org/I4210155030"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002298087","display_name":"Frank Eckert","orcid":"https://orcid.org/0000-0003-0986-6428"},"institutions":[{"id":"https://openalex.org/I4210155030","display_name":"Klinikum Leverkusen","ror":"https://ror.org/05mt2wq31","country_code":"DE","type":"healthcare","lineage":["https://openalex.org/I4210155030"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Frank Eckert","raw_affiliation_strings":["COSMOlogic GmbH&CoKG, Burscheider Str. 515, 51381, Leverkusen, Germany","COSMOlogic GmbH&CoKG, Leverkusen, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"COSMOlogic GmbH&CoKG, Burscheider Str. 515, 51381, Leverkusen, Germany","institution_ids":[]},{"raw_affiliation_string":"COSMOlogic GmbH&CoKG, Leverkusen, Germany","institution_ids":["https://openalex.org/I4210155030"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5051610491","display_name":"Martin Hornig","orcid":null},"institutions":[{"id":"https://openalex.org/I4210155030","display_name":"Klinikum Leverkusen","ror":"https://ror.org/05mt2wq31","country_code":"DE","type":"healthcare","lineage":["https://openalex.org/I4210155030"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Martin Hornig","raw_affiliation_strings":["COSMOlogic GmbH&CoKG, Burscheider Str. 515, 51381, Leverkusen, Germany","COSMOlogic GmbH&CoKG, Leverkusen, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"COSMOlogic GmbH&CoKG, Burscheider Str. 515, 51381, Leverkusen, Germany","institution_ids":[]},{"raw_affiliation_string":"COSMOlogic GmbH&CoKG, Leverkusen, Germany","institution_ids":["https://openalex.org/I4210155030"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I4210155030"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":3.985,"has_fulltext":false,"cited_by_count":138,"citation_normalized_percentile":{"value":0.93657339,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":94,"max":99},"biblio":{"volume":"15","issue":"4","first_page":"355","last_page":"365"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T13013","display_name":"Free Radicals and Antioxidants","score":0.9993000030517578,"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"}},"topics":[{"id":"https://openalex.org/T13013","display_name":"Free Radicals and Antioxidants","score":0.9993000030517578,"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"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9991999864578247,"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/T11936","display_name":"Chemical and Physical Properties in Aqueous Solutions","score":0.9986000061035156,"subfield":{"id":"https://openalex.org/subfields/1506","display_name":"Filtration and Separation"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/solvation","display_name":"Solvation","score":0.9244874715805054},{"id":"https://openalex.org/keywords/partition-coefficient","display_name":"Partition coefficient","score":0.6707188487052917},{"id":"https://openalex.org/keywords/lipophilicity","display_name":"Lipophilicity","score":0.6311350464820862},{"id":"https://openalex.org/keywords/partition","display_name":"Partition (number theory)","score":0.5911503434181213},{"id":"https://openalex.org/keywords/implicit-solvation","display_name":"Implicit solvation","score":0.5540951490402222},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.51023268699646},{"id":"https://openalex.org/keywords/dielectric","display_name":"Dielectric","score":0.5001552104949951},{"id":"https://openalex.org/keywords/solubility","display_name":"Solubility","score":0.4922980070114136},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.4386165738105774},{"id":"https://openalex.org/keywords/polarity","display_name":"Polarity (international relations)","score":0.41501089930534363},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.3506956100463867},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.3286363184452057},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.3224292993545532},{"id":"https://openalex.org/keywords/physical-chemistry","display_name":"Physical chemistry","score":0.2388097643852234},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.21600022912025452},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.18269005417823792},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.1133689284324646},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.11316314339637756}],"concepts":[{"id":"https://openalex.org/C148093993","wikidata":"https://www.wikidata.org/wiki/Q739398","display_name":"Solvation","level":3,"score":0.9244874715805054},{"id":"https://openalex.org/C192552737","wikidata":"https://www.wikidata.org/wiki/Q898797","display_name":"Partition coefficient","level":2,"score":0.6707188487052917},{"id":"https://openalex.org/C201399114","wikidata":"https://www.wikidata.org/wiki/Q898401","display_name":"Lipophilicity","level":2,"score":0.6311350464820862},{"id":"https://openalex.org/C42812","wikidata":"https://www.wikidata.org/wiki/Q1082910","display_name":"Partition (number theory)","level":2,"score":0.5911503434181213},{"id":"https://openalex.org/C64147673","wikidata":"https://www.wikidata.org/wiki/Q6007318","display_name":"Implicit solvation","level":4,"score":0.5540951490402222},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.51023268699646},{"id":"https://openalex.org/C133386390","wikidata":"https://www.wikidata.org/wiki/Q184996","display_name":"Dielectric","level":2,"score":0.5001552104949951},{"id":"https://openalex.org/C155574463","wikidata":"https://www.wikidata.org/wiki/Q170731","display_name":"Solubility","level":2,"score":0.4922980070114136},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4386165738105774},{"id":"https://openalex.org/C2777361361","wikidata":"https://www.wikidata.org/wiki/Q1112585","display_name":"Polarity (international relations)","level":3,"score":0.41501089930534363},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.3506956100463867},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.3286363184452057},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.3224292993545532},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.2388097643852234},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.21600022912025452},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.18269005417823792},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.1133689284324646},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.11316314339637756},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.0},{"id":"https://openalex.org/C1491633281","wikidata":"https://www.wikidata.org/wiki/Q7868","display_name":"Cell","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D001812","descriptor_name":"Blood-Brain Barrier","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001812","descriptor_name":"Blood-Brain Barrier","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001812","descriptor_name":"Blood-Brain Barrier","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","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":"D008055","descriptor_name":"Lipids","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008055","descriptor_name":"Lipids","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008055","descriptor_name":"Lipids","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012995","descriptor_name":"Solubility","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012995","descriptor_name":"Solubility","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012995","descriptor_name":"Solubility","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012997","descriptor_name":"Solvents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012997","descriptor_name":"Solvents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012997","descriptor_name":"Solvents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017076","descriptor_name":"Computer-Aided Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017076","descriptor_name":"Computer-Aided Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017076","descriptor_name":"Computer-Aided Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1023/a:1011111506388","is_oa":false,"landing_page_url":"https://doi.org/10.1023/a:1011111506388","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:11349817","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/11349817","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":[{"score":0.8100000023841858,"display_name":"Clean water and sanitation","id":"https://metadata.un.org/sdg/6"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":16,"referenced_works":["https://openalex.org/W1963737263","https://openalex.org/W1965062211","https://openalex.org/W1995507794","https://openalex.org/W2028022118","https://openalex.org/W2030841140","https://openalex.org/W2043454078","https://openalex.org/W2055563809","https://openalex.org/W2071180837","https://openalex.org/W2072398524","https://openalex.org/W2073328513","https://openalex.org/W2089545684","https://openalex.org/W2095315719","https://openalex.org/W2131313124","https://openalex.org/W2150384335","https://openalex.org/W2163763334","https://openalex.org/W4229709053"],"related_works":["https://openalex.org/W4379536151","https://openalex.org/W2903029337","https://openalex.org/W2024149655","https://openalex.org/W2030840504","https://openalex.org/W4387312235","https://openalex.org/W2913541795","https://openalex.org/W2230176560","https://openalex.org/W2512061481","https://openalex.org/W2055928473","https://openalex.org/W1559185053"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":5},{"year":2024,"cited_by_count":8},{"year":2023,"cited_by_count":6},{"year":2022,"cited_by_count":7},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":6},{"year":2019,"cited_by_count":2},{"year":2018,"cited_by_count":7},{"year":2017,"cited_by_count":7},{"year":2016,"cited_by_count":7},{"year":2015,"cited_by_count":4},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":6},{"year":2012,"cited_by_count":3}],"updated_date":"2026-06-26T08:34:08.712188","created_date":"2025-10-10T00:00:00"}
