{"id":"https://openalex.org/W2793572928","doi":"https://doi.org/10.1093/bioinformatics/bty135","title":"eMolTox: prediction of molecular toxicity with confidence","display_name":"eMolTox: prediction of molecular toxicity with confidence","publication_year":2018,"publication_date":"2018-03-06","ids":{"openalex":"https://openalex.org/W2793572928","doi":"https://doi.org/10.1093/bioinformatics/bty135","mag":"2793572928","pmid":"https://pubmed.ncbi.nlm.nih.gov/29522123"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/bty135","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/bty135","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/34/14/2508/25138300/bty135.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/34/14/2508/25138300/bty135.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5077039256","display_name":"Changge Ji","orcid":"https://orcid.org/0000-0001-5477-4894"},"institutions":[{"id":"https://openalex.org/I66867065","display_name":"East China Normal University","ror":"https://ror.org/02n96ep67","country_code":"CN","type":"education","lineage":["https://openalex.org/I66867065"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Changge Ji","raw_affiliation_strings":["Department of Chemistry, Center for Molecular Informatics, Cambridge, UK","Shanghai Engineering Research Center for Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, China"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Center for Molecular Informatics, Cambridge, UK","institution_ids":[]},{"raw_affiliation_string":"Shanghai Engineering Research Center for Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, China","institution_ids":["https://openalex.org/I66867065"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5087233240","display_name":"Fredrik Svensson","orcid":"https://orcid.org/0000-0002-5556-8133"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Fredrik Svensson","raw_affiliation_strings":["Department of Chemistry, Center for Molecular Informatics, Cambridge, UK","IOTA Pharmaceuticals, St John\u2019s Innovation Centre, Cambridge, UK","IOTA Pharmaceuticals, St John's Innovation Centre, Cambridge, UK"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Center for Molecular Informatics, Cambridge, UK","institution_ids":[]},{"raw_affiliation_string":"IOTA Pharmaceuticals, St John\u2019s Innovation Centre, Cambridge, UK","institution_ids":[]},{"raw_affiliation_string":"IOTA Pharmaceuticals, St John's Innovation Centre, Cambridge, UK","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072182550","display_name":"Azedine Zoufir","orcid":"https://orcid.org/0000-0001-8501-5348"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Azedine Zoufir","raw_affiliation_strings":["Department of Chemistry, Center for Molecular Informatics, Cambridge, UK"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Center for Molecular Informatics, Cambridge, UK","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5026643759","display_name":"Andreas Bender","orcid":"https://orcid.org/0000-0002-6683-7546"},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Andreas Bender","raw_affiliation_strings":["Department of Chemistry, Center for Molecular Informatics, Cambridge, UK"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Center for Molecular Informatics, Cambridge, UK","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5026643759","https://openalex.org/A5077039256"],"corresponding_institution_ids":["https://openalex.org/I66867065"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":null,"fwci":6.1974,"has_fulltext":false,"cited_by_count":72,"citation_normalized_percentile":{"value":0.97042971,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":100},"biblio":{"volume":"34","issue":"14","first_page":"2508","last_page":"2509"},"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/T12281","display_name":"Animal testing and alternatives","score":0.9803000092506409,"subfield":{"id":"https://openalex.org/subfields/3404","display_name":"Small Animals"},"field":{"id":"https://openalex.org/fields/34","display_name":"Veterinary"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9585999846458435,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6576674580574036},{"id":"https://openalex.org/keywords/confidence-interval","display_name":"Confidence interval","score":0.5191694498062134},{"id":"https://openalex.org/keywords/toxicity","display_name":"Toxicity","score":0.509231686592102},{"id":"https://openalex.org/keywords/web-site","display_name":"Web site","score":0.4717318117618561},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.44649919867515564},{"id":"https://openalex.org/keywords/web-server","display_name":"Web server","score":0.4165370464324951},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.33343538641929626},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.32655054330825806},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.26556694507598877},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.21953630447387695},{"id":"https://openalex.org/keywords/the-internet","display_name":"The Internet","score":0.1999148428440094},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.14908826351165771},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.1488214135169983},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.14414376020431519}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6576674580574036},{"id":"https://openalex.org/C44249647","wikidata":"https://www.wikidata.org/wiki/Q208498","display_name":"Confidence interval","level":2,"score":0.5191694498062134},{"id":"https://openalex.org/C29730261","wikidata":"https://www.wikidata.org/wiki/Q274160","display_name":"Toxicity","level":2,"score":0.509231686592102},{"id":"https://openalex.org/C2984519610","wikidata":"https://www.wikidata.org/wiki/Q35127","display_name":"Web site","level":3,"score":0.4717318117618561},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.44649919867515564},{"id":"https://openalex.org/C11392498","wikidata":"https://www.wikidata.org/wiki/Q11288","display_name":"Web server","level":3,"score":0.4165370464324951},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.33343538641929626},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.32655054330825806},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.26556694507598877},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.21953630447387695},{"id":"https://openalex.org/C110875604","wikidata":"https://www.wikidata.org/wiki/Q75","display_name":"The Internet","level":2,"score":0.1999148428440094},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.14908826351165771},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.1488214135169983},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.14414376020431519},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002273","descriptor_name":"Carcinogens","qualifier_ui":"Q000633","qualifier_name":"toxicity","is_major_topic":false},{"descriptor_ui":"D002273","descriptor_name":"Carcinogens","qualifier_ui":"Q000633","qualifier_name":"toxicity","is_major_topic":false},{"descriptor_ui":"D002273","descriptor_name":"Carcinogens","qualifier_ui":"Q000633","qualifier_name":"toxicity","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":"D009153","descriptor_name":"Mutagens","qualifier_ui":"Q000633","qualifier_name":"toxicity","is_major_topic":false},{"descriptor_ui":"D009153","descriptor_name":"Mutagens","qualifier_ui":"Q000633","qualifier_name":"toxicity","is_major_topic":false},{"descriptor_ui":"D009153","descriptor_name":"Mutagens","qualifier_ui":"Q000633","qualifier_name":"toxicity","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":"D014116","descriptor_name":"Toxicology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D014116","descriptor_name":"Toxicology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D014116","descriptor_name":"Toxicology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1093/bioinformatics/bty135","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/bty135","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/34/14/2508/25138300/bty135.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:29522123","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/29522123","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:eprints.ucl.ac.uk.OAI2:10062387","is_oa":false,"landing_page_url":"https://discovery.ucl.ac.uk/id/eprint/10062387/","pdf_url":null,"source":{"id":"https://openalex.org/S4306400024","display_name":"UCL Discovery (University College London)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I45129253","host_organization_name":"University College London","host_organization_lineage":["https://openalex.org/I45129253"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"   Bioinformatics , 34  (14)   pp. 2508-2509.   (2018)      ","raw_type":"Article"}],"best_oa_location":{"id":"doi:10.1093/bioinformatics/bty135","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/bty135","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/34/14/2508/25138300/bty135.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":[{"display_name":"Good health and well-being","score":0.7300000190734863,"id":"https://metadata.un.org/sdg/3"}],"awards":[{"id":"https://openalex.org/G5701649331","display_name":null,"funder_award_id":"21003048","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G5839655176","display_name":null,"funder_award_id":"14ZR1411900","funder_id":"https://openalex.org/F4320309612","funder_display_name":"Natural Science Foundation of Shanghai"},{"id":"https://openalex.org/G7561748701","display_name":null,"funder_award_id":"21433004","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320309612","display_name":"Natural Science Foundation of Shanghai","ror":null},{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320322725","display_name":"China Scholarship Council","ror":"https://ror.org/04atp4p48"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2793572928.pdf","grobid_xml":"https://content.openalex.org/works/W2793572928.grobid-xml"},"referenced_works_count":8,"referenced_works":["https://openalex.org/W1967105697","https://openalex.org/W1994249991","https://openalex.org/W2018711002","https://openalex.org/W2101234009","https://openalex.org/W2171585602","https://openalex.org/W2218204925","https://openalex.org/W6675354045","https://openalex.org/W6685112792"],"related_works":["https://openalex.org/W4252337189","https://openalex.org/W3002947890","https://openalex.org/W2503502284","https://openalex.org/W2088620963","https://openalex.org/W2402743643","https://openalex.org/W4313063054","https://openalex.org/W2170271130","https://openalex.org/W2366254154","https://openalex.org/W2394064515","https://openalex.org/W2050989825"],"abstract_inverted_index":{"Supplementary":[0],"data":[1],"are":[2],"available":[3],"at":[4],"Bioinformatics":[5],"online.":[6]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":11},{"year":2024,"cited_by_count":7},{"year":2023,"cited_by_count":8},{"year":2022,"cited_by_count":15},{"year":2021,"cited_by_count":17},{"year":2020,"cited_by_count":7},{"year":2019,"cited_by_count":4},{"year":2018,"cited_by_count":1}],"updated_date":"2026-04-05T17:49:38.594831","created_date":"2025-10-10T00:00:00"}
