{"id":"https://openalex.org/W2117750093","doi":"https://doi.org/10.1093/bioinformatics/btv087","title":"SOMP: web server for <i>in silico</i> prediction of sites of metabolism for drug-like compounds","display_name":"SOMP: web server for <i>in silico</i> prediction of sites of metabolism for drug-like compounds","publication_year":2015,"publication_date":"2015-02-11","ids":{"openalex":"https://openalex.org/W2117750093","doi":"https://doi.org/10.1093/bioinformatics/btv087","mag":"2117750093","pmid":"https://pubmed.ncbi.nlm.nih.gov/25777527"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btv087","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btv087","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/31/12/2046/49014322/bioinformatics_31_12_2046.pdf","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":true,"oa_status":"bronze","oa_url":"https://academic.oup.com/bioinformatics/article-pdf/31/12/2046/49014322/bioinformatics_31_12_2046.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5036658657","display_name":"Anastasia V. Rudik","orcid":"https://orcid.org/0000-0002-8916-9675"},"institutions":[{"id":"https://openalex.org/I4210152028","display_name":"Institute of Biomedical Chemistry","ror":"https://ror.org/040wrkp27","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210110862","https://openalex.org/I4210152028"]},{"id":"https://openalex.org/I337778094","display_name":"Pirogov Russian National Research Medical University","ror":"https://ror.org/018159086","country_code":"RU","type":"education","lineage":["https://openalex.org/I337778094","https://openalex.org/I4210117042"]}],"countries":["RU"],"is_corresponding":true,"raw_author_name":"Anastasia Rudik","raw_affiliation_strings":["1 Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry, 10/8 Pogodinskaya Str., Moscow, 119121, Russia and 2Medicobiological Faculty, Pirogov Russian National Research Medical University, 1 Ostrovityanova Str., Moscow, 117997, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"1 Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry, 10/8 Pogodinskaya Str., Moscow, 119121, Russia and 2Medicobiological Faculty, Pirogov Russian National Research Medical University, 1 Ostrovityanova Str., Moscow, 117997, Russia","institution_ids":["https://openalex.org/I337778094","https://openalex.org/I4210152028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5021812000","display_name":"Alexander V. Dmitriev","orcid":"https://orcid.org/0000-0002-2431-3429"},"institutions":[{"id":"https://openalex.org/I4210152028","display_name":"Institute of Biomedical Chemistry","ror":"https://ror.org/040wrkp27","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210110862","https://openalex.org/I4210152028"]},{"id":"https://openalex.org/I337778094","display_name":"Pirogov Russian National Research Medical University","ror":"https://ror.org/018159086","country_code":"RU","type":"education","lineage":["https://openalex.org/I337778094","https://openalex.org/I4210117042"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Alexander Dmitriev","raw_affiliation_strings":["1 Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry, 10/8 Pogodinskaya Str., Moscow, 119121, Russia and 2Medicobiological Faculty, Pirogov Russian National Research Medical University, 1 Ostrovityanova Str., Moscow, 117997, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"1 Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry, 10/8 Pogodinskaya Str., Moscow, 119121, Russia and 2Medicobiological Faculty, Pirogov Russian National Research Medical University, 1 Ostrovityanova Str., Moscow, 117997, Russia","institution_ids":["https://openalex.org/I337778094","https://openalex.org/I4210152028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065866115","display_name":"Alexey A. Lagunin","orcid":"https://orcid.org/0000-0003-1757-8004"},"institutions":[{"id":"https://openalex.org/I337778094","display_name":"Pirogov Russian National Research Medical University","ror":"https://ror.org/018159086","country_code":"RU","type":"education","lineage":["https://openalex.org/I337778094","https://openalex.org/I4210117042"]},{"id":"https://openalex.org/I4210152028","display_name":"Institute of Biomedical Chemistry","ror":"https://ror.org/040wrkp27","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210110862","https://openalex.org/I4210152028"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Alexey Lagunin","raw_affiliation_strings":["1 Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry, 10/8 Pogodinskaya Str., Moscow, 119121, Russia and 2Medicobiological Faculty, Pirogov Russian National Research Medical University, 1 Ostrovityanova Str., Moscow, 117997, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"1 Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry, 10/8 Pogodinskaya Str., Moscow, 119121, Russia and 2Medicobiological Faculty, Pirogov Russian National Research Medical University, 1 Ostrovityanova Str., Moscow, 117997, Russia","institution_ids":["https://openalex.org/I337778094","https://openalex.org/I4210152028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5050528382","display_name":"Dmitry Filimonov","orcid":"https://orcid.org/0000-0002-0339-8478"},"institutions":[{"id":"https://openalex.org/I337778094","display_name":"Pirogov Russian National Research Medical University","ror":"https://ror.org/018159086","country_code":"RU","type":"education","lineage":["https://openalex.org/I337778094","https://openalex.org/I4210117042"]},{"id":"https://openalex.org/I4210152028","display_name":"Institute of Biomedical Chemistry","ror":"https://ror.org/040wrkp27","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210110862","https://openalex.org/I4210152028"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Dmitry Filimonov","raw_affiliation_strings":["1 Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry, 10/8 Pogodinskaya Str., Moscow, 119121, Russia and 2Medicobiological Faculty, Pirogov Russian National Research Medical University, 1 Ostrovityanova Str., Moscow, 117997, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"1 Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry, 10/8 Pogodinskaya Str., Moscow, 119121, Russia and 2Medicobiological Faculty, Pirogov Russian National Research Medical University, 1 Ostrovityanova Str., Moscow, 117997, Russia","institution_ids":["https://openalex.org/I337778094","https://openalex.org/I4210152028"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5029121475","display_name":"Vladimir Poroikov","orcid":"https://orcid.org/0000-0001-7937-2621"},"institutions":[{"id":"https://openalex.org/I4210152028","display_name":"Institute of Biomedical Chemistry","ror":"https://ror.org/040wrkp27","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210110862","https://openalex.org/I4210152028"]},{"id":"https://openalex.org/I337778094","display_name":"Pirogov Russian National Research Medical University","ror":"https://ror.org/018159086","country_code":"RU","type":"education","lineage":["https://openalex.org/I337778094","https://openalex.org/I4210117042"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Vladimir Poroikov","raw_affiliation_strings":["1 Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry, 10/8 Pogodinskaya Str., Moscow, 119121, Russia and 2Medicobiological Faculty, Pirogov Russian National Research Medical University, 1 Ostrovityanova Str., Moscow, 117997, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"1 Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry, 10/8 Pogodinskaya Str., Moscow, 119121, Russia and 2Medicobiological Faculty, Pirogov Russian National Research Medical University, 1 Ostrovityanova Str., Moscow, 117997, Russia","institution_ids":["https://openalex.org/I337778094","https://openalex.org/I4210152028"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5036658657"],"corresponding_institution_ids":["https://openalex.org/I337778094","https://openalex.org/I4210152028"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":null,"fwci":7.9944,"has_fulltext":false,"cited_by_count":122,"citation_normalized_percentile":{"value":0.97955145,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":100},"biblio":{"volume":"31","issue":"12","first_page":"2046","last_page":"2048"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.8521000146865845,"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"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.8521000146865845,"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/T12254","display_name":"Machine Learning in Bioinformatics","score":0.04960000142455101,"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"}},{"id":"https://openalex.org/T10375","display_name":"Pharmacogenetics and Drug Metabolism","score":0.03460000082850456,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.8568801879882812},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5983878374099731},{"id":"https://openalex.org/keywords/web-server","display_name":"Web server","score":0.558051347732544},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.545275092124939},{"id":"https://openalex.org/keywords/drug-metabolism","display_name":"Drug metabolism","score":0.4769101142883301},{"id":"https://openalex.org/keywords/web-site","display_name":"Web site","score":0.43762728571891785},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.39885592460632324},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3168279528617859},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.3099434971809387},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.2598918676376343},{"id":"https://openalex.org/keywords/the-internet","display_name":"The Internet","score":0.2536880075931549},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.23833873867988586},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.14927664399147034}],"concepts":[{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.8568801879882812},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5983878374099731},{"id":"https://openalex.org/C11392498","wikidata":"https://www.wikidata.org/wiki/Q11288","display_name":"Web server","level":3,"score":0.558051347732544},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.545275092124939},{"id":"https://openalex.org/C89311334","wikidata":"https://www.wikidata.org/wiki/Q1124842","display_name":"Drug metabolism","level":3,"score":0.4769101142883301},{"id":"https://openalex.org/C2984519610","wikidata":"https://www.wikidata.org/wiki/Q35127","display_name":"Web site","level":3,"score":0.43762728571891785},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.39885592460632324},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3168279528617859},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.3099434971809387},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.2598918676376343},{"id":"https://openalex.org/C110875604","wikidata":"https://www.wikidata.org/wiki/Q75","display_name":"The Internet","level":2,"score":0.2536880075931549},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.23833873867988586},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.14927664399147034},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001499","descriptor_name":"Bayes Theorem","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001499","descriptor_name":"Bayes Theorem","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001499","descriptor_name":"Bayes Theorem","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003577","descriptor_name":"Cytochrome P-450 Enzyme System","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D003577","descriptor_name":"Cytochrome P-450 Enzyme System","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D003577","descriptor_name":"Cytochrome P-450 Enzyme System","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000378","qualifier_name":"metabolism","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":"D006801","descriptor_name":"Humans","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},{"descriptor_ui":"D015262","descriptor_name":"Xenobiotics","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D015262","descriptor_name":"Xenobiotics","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D015262","descriptor_name":"Xenobiotics","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D053858","descriptor_name":"Metabolic Networks and Pathways","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D053858","descriptor_name":"Metabolic Networks and Pathways","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D053858","descriptor_name":"Metabolic Networks and Pathways","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1093/bioinformatics/btv087","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btv087","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/31/12/2046/49014322/bioinformatics_31_12_2046.pdf","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:25777527","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/25777527","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:open-archive.highwire.org:bioinfo:31/12/2046","is_oa":false,"landing_page_url":"http://bioinformatics.oxfordjournals.org/cgi/content/short/31/12/2046","pdf_url":null,"source":{"id":"https://openalex.org/S4406923041","display_name":"HighWire Press Open Archive","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":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"TEXT"}],"best_oa_location":{"id":"doi:10.1093/bioinformatics/btv087","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btv087","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/31/12/2046/49014322/bioinformatics_31_12_2046.pdf","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"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2117750093.pdf","grobid_xml":"https://content.openalex.org/works/W2117750093.grobid-xml"},"referenced_works_count":17,"referenced_works":["https://openalex.org/W417995331","https://openalex.org/W1975147762","https://openalex.org/W1990748933","https://openalex.org/W1997872815","https://openalex.org/W2049961577","https://openalex.org/W2051810242","https://openalex.org/W2083322951","https://openalex.org/W2110458001","https://openalex.org/W2115763439","https://openalex.org/W2120869341","https://openalex.org/W2151589354","https://openalex.org/W2154746639","https://openalex.org/W2167130649","https://openalex.org/W2397771074","https://openalex.org/W4236533258","https://openalex.org/W6648129645","https://openalex.org/W6663437153"],"related_works":["https://openalex.org/W2412806641","https://openalex.org/W2411014426","https://openalex.org/W3160948212","https://openalex.org/W45232484","https://openalex.org/W1979955611","https://openalex.org/W2403081179","https://openalex.org/W4254948725","https://openalex.org/W1782647748","https://openalex.org/W2091367238","https://openalex.org/W3092094566"],"abstract_inverted_index":{"UNLABELLED:":[0],"A":[1],"new":[2],"freely":[3],"available":[4,110],"web":[5,113],"server":[6,58],"site":[7],"of":[8,15,23,34,45,52,73,78,86],"metabolism":[9,16],"predictor":[10],"to":[11,48],"predict":[12],"the":[13,20,32,50,79,92,112],"sites":[14],"(SOM)":[17],"based":[18,30],"on":[19,31,111],"structural":[21],"formula":[22],"chemicals":[24],"has":[25],"been":[26],"developed.":[27],"It":[28],"is":[29,101],"analyses":[33],"'structure-SOM'":[35],"relationships":[36],"using":[37],"a":[38],"Bayesian":[39],"approach":[40],"and":[41,70,76,98,103],"labelled":[42],"multilevel":[43],"neighbourhoods":[44],"atoms":[46],"descriptors":[47],"represent":[49],"structures":[51],"over":[53],"1000":[54],"metabolized":[55],"xenobiotics.":[56],"The":[57,82],"allows":[59],"predicting":[60],"SOMs":[61],"that":[62,88],"are":[63],"catalysed":[64],"by":[65],"1A2,":[66],"2C9,":[67],"2C19,":[68],"2D6":[69],"3A4":[71],"isoforms":[72],"cytochrome":[74],"P450":[75],"enzymes":[77],"UDP-glucuronosyltransferase":[80],"family.":[81],"average":[83],"invariant":[84],"accuracy":[85],"prediction":[87],"was":[89],"calculated":[90],"for":[91],"training":[93],"sets":[94,100],"(using":[95],"leave-one-out":[96],"cross-validation)":[97],"evaluation":[99],"0.9":[102],"0.95,":[104],"respectively.":[105],"AVAILABILITY":[106],"AND":[107],"IMPLEMENTATION:":[108],"Freely":[109],"at":[114],"http://www.way2drug.com/SOMP.":[115]},"counts_by_year":[{"year":2026,"cited_by_count":6},{"year":2025,"cited_by_count":11},{"year":2024,"cited_by_count":10},{"year":2023,"cited_by_count":15},{"year":2022,"cited_by_count":10},{"year":2021,"cited_by_count":23},{"year":2020,"cited_by_count":12},{"year":2019,"cited_by_count":13},{"year":2018,"cited_by_count":10},{"year":2017,"cited_by_count":7},{"year":2016,"cited_by_count":5}],"updated_date":"2026-04-29T09:16:38.111599","created_date":"2016-06-24T00:00:00"}
