{"id":"https://openalex.org/W2129853470","doi":"https://doi.org/10.1093/bioinformatics/btt322","title":"DIGEP-Pred: web service for <i>in silico</i> prediction of drug-induced gene expression profiles based on structural formula","display_name":"DIGEP-Pred: web service for <i>in silico</i> prediction of drug-induced gene expression profiles based on structural formula","publication_year":2013,"publication_date":"2013-06-05","ids":{"openalex":"https://openalex.org/W2129853470","doi":"https://doi.org/10.1093/bioinformatics/btt322","mag":"2129853470","pmid":"https://pubmed.ncbi.nlm.nih.gov/23740741"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btt322","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btt322","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/29/16/2062/16914589/btt322.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/29/16/2062/16914589/btt322.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5065866115","display_name":"Alexey A. Lagunin","orcid":"https://orcid.org/0000-0003-1757-8004"},"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"]}],"countries":["RU"],"is_corresponding":true,"raw_author_name":"Alexey Lagunin","raw_affiliation_strings":["Laboratory for Structure-Function Based Drug Design, Orekhovich Institute of Biomedical Chemistry of the Russian Academy of Medical Sciences, Moscow 119121, Russia"],"affiliations":[{"raw_affiliation_string":"Laboratory for Structure-Function Based Drug Design, Orekhovich Institute of Biomedical Chemistry of the Russian Academy of Medical Sciences, Moscow 119121, Russia","institution_ids":["https://openalex.org/I4210152028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069370230","display_name":"Sergey M. Ivanov","orcid":"https://orcid.org/0000-0002-3177-6237"},"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"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Sergey Ivanov","raw_affiliation_strings":["Laboratory for Structure-Function Based Drug Design, Orekhovich Institute of Biomedical Chemistry of the Russian Academy of Medical Sciences, Moscow 119121, Russia"],"affiliations":[{"raw_affiliation_string":"Laboratory for Structure-Function Based Drug Design, Orekhovich Institute of Biomedical Chemistry of the Russian Academy of Medical Sciences, Moscow 119121, Russia","institution_ids":["https://openalex.org/I4210152028"]}]},{"author_position":"middle","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"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Anastasia Rudik","raw_affiliation_strings":["Laboratory for Structure-Function Based Drug Design, Orekhovich Institute of Biomedical Chemistry of the Russian Academy of Medical Sciences, Moscow 119121, Russia"],"affiliations":[{"raw_affiliation_string":"Laboratory for Structure-Function Based Drug Design, Orekhovich Institute of Biomedical Chemistry of the Russian Academy of Medical Sciences, Moscow 119121, Russia","institution_ids":["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/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":["Laboratory for Structure-Function Based Drug Design, Orekhovich Institute of Biomedical Chemistry of the Russian Academy of Medical Sciences, Moscow 119121, Russia"],"affiliations":[{"raw_affiliation_string":"Laboratory for Structure-Function Based Drug Design, Orekhovich Institute of Biomedical Chemistry of the Russian Academy of Medical Sciences, Moscow 119121, Russia","institution_ids":["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"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Vladimir Poroikov","raw_affiliation_strings":["Laboratory for Structure-Function Based Drug Design, Orekhovich Institute of Biomedical Chemistry of the Russian Academy of Medical Sciences, Moscow 119121, Russia"],"affiliations":[{"raw_affiliation_string":"Laboratory for Structure-Function Based Drug Design, Orekhovich Institute of Biomedical Chemistry of the Russian Academy of Medical Sciences, Moscow 119121, Russia","institution_ids":["https://openalex.org/I4210152028"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5065866115"],"corresponding_institution_ids":["https://openalex.org/I4210152028"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":null,"fwci":1.4919,"has_fulltext":false,"cited_by_count":129,"citation_normalized_percentile":{"value":0.83688781,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":100},"biblio":{"volume":"29","issue":"16","first_page":"2062","last_page":"2063"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998999834060669,"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":0.9998999834060669,"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/T10887","display_name":"Bioinformatics and Genomic Networks","score":0.9979000091552734,"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/T10885","display_name":"Gene expression and cancer classification","score":0.9932000041007996,"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/toxicogenomics","display_name":"Toxicogenomics","score":0.9148616790771484},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.7967286705970764},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.6016836166381836},{"id":"https://openalex.org/keywords/gene-expression","display_name":"Gene expression","score":0.5895645022392273},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5681198239326477},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.5558990836143494},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.44687655568122864},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.43880516290664673},{"id":"https://openalex.org/keywords/service","display_name":"Service (business)","score":0.4367731213569641},{"id":"https://openalex.org/keywords/web-service","display_name":"Web service","score":0.4361400306224823},{"id":"https://openalex.org/keywords/expression","display_name":"Expression (computer science)","score":0.42595988512039185},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.4208824634552002},{"id":"https://openalex.org/keywords/web-application","display_name":"Web application","score":0.41980475187301636},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.397434264421463},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.34572067856788635},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.30177101492881775},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.20823270082473755},{"id":"https://openalex.org/keywords/genetics","display_name":"Genetics","score":0.16397792100906372},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.12132814526557922}],"concepts":[{"id":"https://openalex.org/C93231420","wikidata":"https://www.wikidata.org/wiki/Q841450","display_name":"Toxicogenomics","level":4,"score":0.9148616790771484},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.7967286705970764},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.6016836166381836},{"id":"https://openalex.org/C150194340","wikidata":"https://www.wikidata.org/wiki/Q26972","display_name":"Gene expression","level":3,"score":0.5895645022392273},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5681198239326477},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.5558990836143494},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.44687655568122864},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.43880516290664673},{"id":"https://openalex.org/C2780378061","wikidata":"https://www.wikidata.org/wiki/Q25351891","display_name":"Service (business)","level":2,"score":0.4367731213569641},{"id":"https://openalex.org/C35578498","wikidata":"https://www.wikidata.org/wiki/Q193424","display_name":"Web service","level":2,"score":0.4361400306224823},{"id":"https://openalex.org/C90559484","wikidata":"https://www.wikidata.org/wiki/Q778379","display_name":"Expression (computer science)","level":2,"score":0.42595988512039185},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.4208824634552002},{"id":"https://openalex.org/C118643609","wikidata":"https://www.wikidata.org/wiki/Q189210","display_name":"Web application","level":2,"score":0.41980475187301636},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.397434264421463},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.34572067856788635},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.30177101492881775},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.20823270082473755},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.16397792100906372},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.12132814526557922},{"id":"https://openalex.org/C136264566","wikidata":"https://www.wikidata.org/wiki/Q159810","display_name":"Economy","level":1,"score":0.0},{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","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":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012333","descriptor_name":"RNA, Messenger","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012333","descriptor_name":"RNA, Messenger","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012333","descriptor_name":"RNA, Messenger","qualifier_ui":"Q000378","qualifier_name":"metabolism","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":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030541","descriptor_name":"Databases, Genetic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030541","descriptor_name":"Databases, Genetic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030541","descriptor_name":"Databases, Genetic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D059467","descriptor_name":"Transcriptome","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D059467","descriptor_name":"Transcriptome","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D059467","descriptor_name":"Transcriptome","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1093/bioinformatics/btt322","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btt322","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/29/16/2062/16914589/btt322.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:23740741","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/23740741","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}],"best_oa_location":{"id":"doi:10.1093/bioinformatics/btt322","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btt322","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/29/16/2062/16914589/btt322.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":[{"id":"https://metadata.un.org/sdg/3","score":0.46000000834465027,"display_name":"Good health and well-being"}],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2129853470.pdf","grobid_xml":"https://content.openalex.org/works/W2129853470.grobid-xml"},"referenced_works_count":17,"referenced_works":["https://openalex.org/W17967139","https://openalex.org/W417995331","https://openalex.org/W1974113889","https://openalex.org/W1995919174","https://openalex.org/W1997999713","https://openalex.org/W2023947478","https://openalex.org/W2027991790","https://openalex.org/W2039369430","https://openalex.org/W2047223066","https://openalex.org/W2099195105","https://openalex.org/W2105536900","https://openalex.org/W2111042968","https://openalex.org/W2121604817","https://openalex.org/W2124001239","https://openalex.org/W2137632714","https://openalex.org/W2154362705","https://openalex.org/W2397771074"],"related_works":["https://openalex.org/W1493577616","https://openalex.org/W4206229536","https://openalex.org/W2061516382","https://openalex.org/W2353370625","https://openalex.org/W4250247420","https://openalex.org/W1588440461","https://openalex.org/W2099536383","https://openalex.org/W583741414","https://openalex.org/W2141341794","https://openalex.org/W438749181"],"abstract_inverted_index":{"Freely":[0],"available":[1],"on":[2],"the":[3],"web":[4],"at":[5],"http://www.way2drug.com/GE.":[6]},"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":13},{"year":2024,"cited_by_count":17},{"year":2023,"cited_by_count":21},{"year":2022,"cited_by_count":17},{"year":2021,"cited_by_count":24},{"year":2020,"cited_by_count":19},{"year":2019,"cited_by_count":7},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":2}],"updated_date":"2026-03-14T08:43:22.919905","created_date":"2016-06-24T00:00:00"}