{"id":"https://openalex.org/W2909463267","doi":"https://doi.org/10.1093/bioinformatics/btz037","title":"SMARTCyp 3.0: enhanced cytochrome P450 site-of-metabolism prediction server","display_name":"SMARTCyp 3.0: enhanced cytochrome P450 site-of-metabolism prediction server","publication_year":2019,"publication_date":"2019-01-14","ids":{"openalex":"https://openalex.org/W2909463267","doi":"https://doi.org/10.1093/bioinformatics/btz037","mag":"2909463267","pmid":"https://pubmed.ncbi.nlm.nih.gov/30657882"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btz037","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btz037","pdf_url":null,"source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","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/A5002139604","display_name":"Lars Olsen","orcid":"https://orcid.org/0000-0002-7607-7130"},"institutions":[{"id":"https://openalex.org/I124055696","display_name":"University of Copenhagen","ror":"https://ror.org/035b05819","country_code":"DK","type":"education","lineage":["https://openalex.org/I124055696"]}],"countries":["DK"],"is_corresponding":true,"raw_author_name":"Lars Olsen","raw_affiliation_strings":["University of Copenhagen Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, , Copenhagen, DK-2100, Denmark"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Copenhagen Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, , Copenhagen, DK-2100, Denmark","institution_ids":["https://openalex.org/I124055696"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054333011","display_name":"Marco Montefiori","orcid":"https://orcid.org/0000-0002-2395-6553"},"institutions":[{"id":"https://openalex.org/I124055696","display_name":"University of Copenhagen","ror":"https://ror.org/035b05819","country_code":"DK","type":"education","lineage":["https://openalex.org/I124055696"]}],"countries":["DK"],"is_corresponding":true,"raw_author_name":"Marco Montefiori","raw_affiliation_strings":["University of Copenhagen Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, , Copenhagen, DK-2100, Denmark"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Copenhagen Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, , Copenhagen, DK-2100, Denmark","institution_ids":["https://openalex.org/I124055696"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019662788","display_name":"Khanhvi Phuc Tran","orcid":null},"institutions":[{"id":"https://openalex.org/I124055696","display_name":"University of Copenhagen","ror":"https://ror.org/035b05819","country_code":"DK","type":"education","lineage":["https://openalex.org/I124055696"]}],"countries":["DK"],"is_corresponding":false,"raw_author_name":"Khanhvi Phuc Tran","raw_affiliation_strings":["University of Copenhagen Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, , Copenhagen, DK-2100, Denmark"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Copenhagen Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, , Copenhagen, DK-2100, Denmark","institution_ids":["https://openalex.org/I124055696"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5046853170","display_name":"Flemming Steen J\u00f8rgensen","orcid":"https://orcid.org/0000-0001-8040-2998"},"institutions":[{"id":"https://openalex.org/I124055696","display_name":"University of Copenhagen","ror":"https://ror.org/035b05819","country_code":"DK","type":"education","lineage":["https://openalex.org/I124055696"]}],"countries":["DK"],"is_corresponding":true,"raw_author_name":"Flemming Steen J\u00f8rgensen","raw_affiliation_strings":["University of Copenhagen Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, , Copenhagen, DK-2100, Denmark"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Copenhagen Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, , Copenhagen, DK-2100, Denmark","institution_ids":["https://openalex.org/I124055696"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5002139604","https://openalex.org/A5046853170","https://openalex.org/A5054333011"],"corresponding_institution_ids":["https://openalex.org/I124055696"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":null,"fwci":7.0529,"has_fulltext":false,"cited_by_count":97,"citation_normalized_percentile":{"value":0.97348352,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":100},"biblio":{"volume":"35","issue":"17","first_page":"3174","last_page":"3175"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10375","display_name":"Pharmacogenetics and Drug Metabolism","score":0.5027999877929688,"subfield":{"id":"https://openalex.org/subfields/3004","display_name":"Pharmacology"},"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/T10375","display_name":"Pharmacogenetics and Drug Metabolism","score":0.5027999877929688,"subfield":{"id":"https://openalex.org/subfields/3004","display_name":"Pharmacology"},"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.2037999927997589,"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/T10932","display_name":"Microbial Metabolic Engineering and Bioproduction","score":0.07890000194311142,"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/cytochrome-p450","display_name":"Cytochrome P450","score":0.5558772087097168},{"id":"https://openalex.org/keywords/metabolism","display_name":"Metabolism","score":0.5413224101066589},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.49736908078193665},{"id":"https://openalex.org/keywords/cytochrome","display_name":"Cytochrome","score":0.43783220648765564},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3637779951095581},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.3350580036640167},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2960115671157837},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.25343385338783264},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.12227886915206909}],"concepts":[{"id":"https://openalex.org/C526171541","wikidata":"https://www.wikidata.org/wiki/Q407693","display_name":"Cytochrome P450","level":3,"score":0.5558772087097168},{"id":"https://openalex.org/C62231903","wikidata":"https://www.wikidata.org/wiki/Q1057","display_name":"Metabolism","level":2,"score":0.5413224101066589},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.49736908078193665},{"id":"https://openalex.org/C2780768313","wikidata":"https://www.wikidata.org/wiki/Q408068","display_name":"Cytochrome","level":3,"score":0.43783220648765564},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3637779951095581},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.3350580036640167},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2960115671157837},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.25343385338783264},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.12227886915206909}],"mesh":[{"descriptor_ui":"D003577","descriptor_name":"Cytochrome P-450 Enzyme System","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003577","descriptor_name":"Cytochrome P-450 Enzyme System","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003577","descriptor_name":"Cytochrome P-450 Enzyme System","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010084","descriptor_name":"Oxidation-Reduction","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010084","descriptor_name":"Oxidation-Reduction","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010084","descriptor_name":"Oxidation-Reduction","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":4,"locations":[{"id":"doi:10.1093/bioinformatics/btz037","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btz037","pdf_url":null,"source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},{"id":"pmid:30657882","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/30657882","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":"Bioinformatics (Oxford, England)","raw_type":null},{"id":"pmh:oai:pure.atira.dk:openaire_cris_publications/88359056-fd77-40d5-9737-7b44d6b6a13c","is_oa":false,"landing_page_url":"https://curis.ku.dk/portal/da/publications/smartcyp-30(88359056-fd77-40d5-9737-7b44d6b6a13c).html","pdf_url":null,"source":{"id":"https://openalex.org/S4306401983","display_name":"Research at the University of Copenhagen (University of Copenhagen)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I124055696","host_organization_name":"University of Copenhagen","host_organization_lineage":["https://openalex.org/I124055696"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Olsen , L , Montefiori , M , Tran , K P & J\u00f8rgensen , F S 2019 , ' SMARTCyp 3.0 : enhanced cytochrome P450 site-of-metabolism prediction server ' , Bioinformatics (Oxford, England) , vol. 35 , no. 17 , pp. 3174-3175 . https://doi.org/10.1093/bioinformatics/btz037","raw_type":"article"},{"id":"pmh:oai:pure.atira.dk:publications/88359056-fd77-40d5-9737-7b44d6b6a13c","is_oa":false,"landing_page_url":"https://researchprofiles.ku.dk/da/publications/88359056-fd77-40d5-9737-7b44d6b6a13c","pdf_url":null,"source":{"id":"https://openalex.org/S4306401983","display_name":"Research at the University of Copenhagen (University of Copenhagen)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I124055696","host_organization_name":"University of Copenhagen","host_organization_lineage":["https://openalex.org/I124055696"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Olsen , L , Montefiori , M , Tran , K P & J\u00f8rgensen , F S 2019 , ' SMARTCyp 3.0 : enhanced cytochrome P450 site-of-metabolism prediction server ' , Bioinformatics (Oxford, England) , vol. 35 , no. 17 , pp. 3174-3175 . https://doi.org/10.1093/bioinformatics/btz037","raw_type":"article"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.699999988079071,"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":10,"referenced_works":["https://openalex.org/W241512211","https://openalex.org/W1973057639","https://openalex.org/W1974254541","https://openalex.org/W1983935591","https://openalex.org/W2024469207","https://openalex.org/W2051300664","https://openalex.org/W2114042189","https://openalex.org/W2164071972","https://openalex.org/W2167130649","https://openalex.org/W2227911728"],"related_works":["https://openalex.org/W4387497383","https://openalex.org/W2948807893","https://openalex.org/W2899084033","https://openalex.org/W2778153218","https://openalex.org/W2748952813","https://openalex.org/W1531601525","https://openalex.org/W4391375266","https://openalex.org/W2078814861","https://openalex.org/W2046420831","https://openalex.org/W2267681935"],"abstract_inverted_index":{"MOTIVATION:":[0],"Cytochromes":[1],"P450":[2],"are":[3,141],"the":[4,88,99,103,114,118,133],"most":[5,89],"important":[6,17],"class":[7],"of":[8,13,20,42,49,117],"drug":[9,14,28],"metabolizing":[10],"enzymes.":[11],"Prediction":[12],"metabolism":[15],"is":[16,38,69,127],"in":[18,56],"development":[19],"new":[21,64,107],"drugs,":[22],"to":[23,31,86],"understand":[24],"and":[25,30,63,102,110],"reduce":[26,32],"adverse":[27],"reactions":[29],"animal":[33],"testing.":[34],"RESULTS:":[35],"SMARTCyp":[36,67,119,125],"3.0":[37],"an":[39],"updated":[40],"version":[41],"our":[43],"previous":[44],"web":[45,134],"server":[46,126],"for":[47,51,81,130],"prediction":[48],"site-of-metabolism":[50],"Cytochrome":[52],"P450-mediated":[53],"metabolism,":[54],"now":[55],"Python":[57],"3":[58],"with":[59],"increased":[60],"structural":[61,115],"coverage":[62,116],"features.":[65],"The":[66,124],"program":[68],"a":[70,95,106],"first":[71],"principle-based":[72],"method":[73],"using":[74],"density":[75],"functional":[76],"theory":[77],"determined":[78],"activation":[79],"energies":[80],"more":[82],"than":[83],"250":[84],"molecules":[85],"identify":[87],"likely":[90],"site-of-metabolism.":[91],"New":[92],"features":[93],"include":[94],"similarity":[96],"measure":[97],"between":[98],"query":[100],"molecule":[101],"model":[104],"fragment,":[105],"graphical":[108],"interface":[109],"additional":[111],"parameters":[112],"expanding":[113],"program.":[120],"AVAILABILITY":[121],"AND":[122],"IMPLEMENTATION:":[123],"freely":[128],"available":[129,142],"use":[131],"on":[132],"at":[135,143],"smartcyp.sund.ku.dk.":[136],"SUPPLEMENTARY":[137],"INFORMATION:":[138],"Supplementary":[139],"data":[140],"Bioinformatics":[144],"online.":[145]},"counts_by_year":[{"year":2026,"cited_by_count":8},{"year":2025,"cited_by_count":17},{"year":2024,"cited_by_count":17},{"year":2023,"cited_by_count":21},{"year":2022,"cited_by_count":9},{"year":2021,"cited_by_count":15},{"year":2020,"cited_by_count":7},{"year":2019,"cited_by_count":3}],"updated_date":"2026-05-21T06:26:12.895304","created_date":"2025-10-10T00:00:00"}