{"id":"https://openalex.org/W49335600","doi":"https://doi.org/10.1186/1758-2946-4-s1-o14","title":"Solvent-screening and co-crystal screening for drug development with COSMO-RS","display_name":"Solvent-screening and co-crystal screening for drug development with COSMO-RS","publication_year":2012,"publication_date":"2012-05-01","ids":{"openalex":"https://openalex.org/W49335600","doi":"https://doi.org/10.1186/1758-2946-4-s1-o14","mag":"49335600"},"language":"en","primary_location":{"id":"doi:10.1186/1758-2946-4-s1-o14","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-4-s1-o14","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-4-S1-O14","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-4-S1-O14","any_repository_has_fulltext":true},"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/I60668342","display_name":"University of Regensburg","ror":"https://ror.org/01eezs655","country_code":"DE","type":"education","lineage":["https://openalex.org/I60668342"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"A Klamt","raw_affiliation_strings":["COSMOlogic GmbH&CoKG, Leverkusen and Inst. of Phys. and Theoretical Chemistry, University of Regensburg, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"COSMOlogic GmbH&CoKG, Leverkusen and Inst. of Phys. and Theoretical Chemistry, University of Regensburg, Germany","institution_ids":["https://openalex.org/I60668342"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5071201468"],"corresponding_institution_ids":["https://openalex.org/I60668342"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":0.0,"has_fulltext":false,"cited_by_count":20,"citation_normalized_percentile":{"value":0.00246781,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":98},"biblio":{"volume":"4","issue":"S1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11881","display_name":"Crystallization and Solubility Studies","score":0.9987999796867371,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11881","display_name":"Crystallization and Solubility Studies","score":0.9987999796867371,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T13180","display_name":"Chemistry and Chemical Engineering","score":0.9939000010490417,"subfield":{"id":"https://openalex.org/subfields/2304","display_name":"Environmental Chemistry"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental 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":0.9919000267982483,"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/cosmo-rs","display_name":"COSMO-RS","score":0.7866914868354797},{"id":"https://openalex.org/keywords/suite","display_name":"Suite","score":0.6902214884757996},{"id":"https://openalex.org/keywords/quantum-chemical","display_name":"Quantum chemical","score":0.5847246646881104},{"id":"https://openalex.org/keywords/agrochemical","display_name":"Agrochemical","score":0.5612561106681824},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5529374480247498},{"id":"https://openalex.org/keywords/solvent","display_name":"Solvent","score":0.5470919013023376},{"id":"https://openalex.org/keywords/solubilization","display_name":"Solubilization","score":0.505153477191925},{"id":"https://openalex.org/keywords/drug-development","display_name":"Drug development","score":0.49154743552207947},{"id":"https://openalex.org/keywords/active-ingredient","display_name":"Active ingredient","score":0.4683033227920532},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.44449084997177124},{"id":"https://openalex.org/keywords/combinatorial-chemistry","display_name":"Combinatorial chemistry","score":0.3939201831817627},{"id":"https://openalex.org/keywords/biochemical-engineering","display_name":"Biochemical engineering","score":0.3800859749317169},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3778204321861267},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.3520705997943878},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.23399850726127625},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.12513649463653564},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.09141972661018372},{"id":"https://openalex.org/keywords/catalysis","display_name":"Catalysis","score":0.08373722434043884}],"concepts":[{"id":"https://openalex.org/C2775973084","wikidata":"https://www.wikidata.org/wiki/Q17007937","display_name":"COSMO-RS","level":4,"score":0.7866914868354797},{"id":"https://openalex.org/C79581498","wikidata":"https://www.wikidata.org/wiki/Q1367530","display_name":"Suite","level":2,"score":0.6902214884757996},{"id":"https://openalex.org/C2991951333","wikidata":"https://www.wikidata.org/wiki/Q188403","display_name":"Quantum chemical","level":3,"score":0.5847246646881104},{"id":"https://openalex.org/C207581243","wikidata":"https://www.wikidata.org/wiki/Q2746959","display_name":"Agrochemical","level":3,"score":0.5612561106681824},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5529374480247498},{"id":"https://openalex.org/C2780471494","wikidata":"https://www.wikidata.org/wiki/Q146505","display_name":"Solvent","level":2,"score":0.5470919013023376},{"id":"https://openalex.org/C4863142","wikidata":"https://www.wikidata.org/wiki/Q907920","display_name":"Solubilization","level":2,"score":0.505153477191925},{"id":"https://openalex.org/C64903051","wikidata":"https://www.wikidata.org/wiki/Q2198549","display_name":"Drug development","level":3,"score":0.49154743552207947},{"id":"https://openalex.org/C45904493","wikidata":"https://www.wikidata.org/wiki/Q912807","display_name":"Active ingredient","level":2,"score":0.4683033227920532},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.44449084997177124},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.3939201831817627},{"id":"https://openalex.org/C183696295","wikidata":"https://www.wikidata.org/wiki/Q2487696","display_name":"Biochemical engineering","level":1,"score":0.3800859749317169},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3778204321861267},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.3520705997943878},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.23399850726127625},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.12513649463653564},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.09141972661018372},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.08373722434043884},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.0},{"id":"https://openalex.org/C95457728","wikidata":"https://www.wikidata.org/wiki/Q309","display_name":"History","level":0,"score":0.0},{"id":"https://openalex.org/C18903297","wikidata":"https://www.wikidata.org/wiki/Q7150","display_name":"Ecology","level":1,"score":0.0},{"id":"https://openalex.org/C118518473","wikidata":"https://www.wikidata.org/wiki/Q11451","display_name":"Agriculture","level":2,"score":0.0},{"id":"https://openalex.org/C154881586","wikidata":"https://www.wikidata.org/wiki/Q898579","display_name":"Ionic liquid","level":3,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C166957645","wikidata":"https://www.wikidata.org/wiki/Q23498","display_name":"Archaeology","level":1,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1186/1758-2946-4-s1-o14","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-4-s1-o14","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-4-S1-O14","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:9a5eadd758904ce180222b9ac8397a39","is_oa":true,"landing_page_url":"https://doaj.org/article/9a5eadd758904ce180222b9ac8397a39","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Cheminformatics, Vol 4, Iss Suppl 1, p O14 (2012)","raw_type":"article"},{"id":"pmh:oai:pubmedcentral.nih.gov:3341265","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3341265","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Cheminform","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1186/1758-2946-4-s1-o14","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-4-s1-o14","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-4-S1-O14","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W49335600.pdf","grobid_xml":"https://content.openalex.org/works/W49335600.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W4389883694","https://openalex.org/W1947769171","https://openalex.org/W2534284564","https://openalex.org/W125177433","https://openalex.org/W2154300335","https://openalex.org/W1817934645","https://openalex.org/W4327751119","https://openalex.org/W2374429236","https://openalex.org/W2000121561","https://openalex.org/W1578289642"],"abstract_inverted_index":{"Bringing":[0],"active":[1],"pharmaceutical":[2,16],"or":[3],"agrochemical":[4,18],"ingredients":[5],"(APIs)":[6],"in":[7,15,66],"solution":[8],"often":[9],"is":[10,37,51,78,92],"the":[11,29,55,61,72],"most":[12,56],"demanding":[13],"step":[14],"and":[17,45,49,90],"development.":[19],"The":[20],"COSMO-RS":[21,70],"method,":[22],"which":[23],"has":[24],"been":[25],"originally":[26],"developed":[27],"by":[28],"author":[30],"during":[31],"his":[32],"12":[33],"years":[34],"at":[35],"Bayer,":[36],"a":[38,82],"unique":[39],"combination":[40],"of":[41,64,75,85,88],"quantum":[42],"chemical":[43],"information":[44],"liquid":[46],"phase":[47],"thermodynamics":[48],"currently":[50],"proven":[52],"to":[53,80],"be":[54],"accurate":[57],"method":[58],"for":[59,97],"predicting":[60],"free":[62],"energy":[63],"molecules":[65],"solution.":[67],"Based":[68],"on":[69],"theory":[71],"COSMOtherm":[73],"suite":[74],"software":[76],"tools":[77],"able":[79],"address":[81],"broad":[83],"range":[84],"important":[86],"aspects":[87],"solubilization":[89,99],"thus":[91],"an":[93],"ideally":[94],"suited":[95],"toolset":[96],"rational":[98],"development:":[100]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":2},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":2},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":5},{"year":2016,"cited_by_count":3}],"updated_date":"2026-05-06T08:25:59.206177","created_date":"2025-10-10T00:00:00"}