{"id":"https://openalex.org/W1564885879","doi":"https://doi.org/10.1023/a:1025361621494","title":"In silico prediction of drug toxicity","display_name":"In silico prediction of drug toxicity","publication_year":2003,"publication_date":"2003-02-01","ids":{"openalex":"https://openalex.org/W1564885879","doi":"https://doi.org/10.1023/a:1025361621494","mag":"1564885879","pmid":"https://pubmed.ncbi.nlm.nih.gov/13677480"},"language":"en","primary_location":{"id":"doi:10.1023/a:1025361621494","is_oa":false,"landing_page_url":"https://doi.org/10.1023/a:1025361621494","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"type":"review","indexed_in":["crossref","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/A5022996768","display_name":"John C. Dearden","orcid":null},"institutions":[{"id":"https://openalex.org/I63098007","display_name":"Liverpool John Moores University","ror":"https://ror.org/04zfme737","country_code":"GB","type":"education","lineage":["https://openalex.org/I63098007"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"John C. Dearden","raw_affiliation_strings":["School of Pharmacy and Chemistry, Liverpool John Moores University, Byrom Street, Liverpool L3 3AF, England. j.c.dearden@livjm.ac.uk","School of Pharmacy and Chemistry , Liverpool John Moores University , Liverpool , England"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Pharmacy and Chemistry, Liverpool John Moores University, Byrom Street, Liverpool L3 3AF, England. j.c.dearden@livjm.ac.uk","institution_ids":["https://openalex.org/I63098007"]},{"raw_affiliation_string":"School of Pharmacy and Chemistry , Liverpool John Moores University , Liverpool , England","institution_ids":["https://openalex.org/I63098007"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5022996768"],"corresponding_institution_ids":["https://openalex.org/I63098007"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":9.099,"has_fulltext":false,"cited_by_count":260,"citation_normalized_percentile":{"value":0.98137276,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":100},"biblio":{"volume":"17","issue":"2-4","first_page":"119","last_page":"127"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":1.0,"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":1.0,"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/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9911999702453613,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12023","display_name":"Cholinesterase and Neurodegenerative Diseases","score":0.98580002784729,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/toxicity","display_name":"Toxicity","score":0.6841713190078735},{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.5429851412773132},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.504876434803009},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.49782633781433105},{"id":"https://openalex.org/keywords/chemical-toxicity","display_name":"Chemical toxicity","score":0.4494369924068451},{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.4175560474395752},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.3916090726852417},{"id":"https://openalex.org/keywords/biochemical-engineering","display_name":"Biochemical engineering","score":0.3352828621864319},{"id":"https://openalex.org/keywords/toxicology","display_name":"Toxicology","score":0.32129114866256714},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.22618433833122253},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.18500852584838867},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.17594021558761597},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.09390130639076233}],"concepts":[{"id":"https://openalex.org/C29730261","wikidata":"https://www.wikidata.org/wiki/Q274160","display_name":"Toxicity","level":2,"score":0.6841713190078735},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.5429851412773132},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.504876434803009},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.49782633781433105},{"id":"https://openalex.org/C2910804846","wikidata":"https://www.wikidata.org/wiki/Q274160","display_name":"Chemical toxicity","level":3,"score":0.4494369924068451},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.4175560474395752},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.3916090726852417},{"id":"https://openalex.org/C183696295","wikidata":"https://www.wikidata.org/wiki/Q2487696","display_name":"Biochemical engineering","level":1,"score":0.3352828621864319},{"id":"https://openalex.org/C33070731","wikidata":"https://www.wikidata.org/wiki/Q7218","display_name":"Toxicology","level":1,"score":0.32129114866256714},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.22618433833122253},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.18500852584838867},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.17594021558761597},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.09390130639076233},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","level":1,"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/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D005103","descriptor_name":"Expert Systems","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D005103","descriptor_name":"Expert Systems","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D005103","descriptor_name":"Expert Systems","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"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},{"descriptor_ui":"D014116","descriptor_name":"Toxicology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D015197","descriptor_name":"Carcinogenicity Tests","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015197","descriptor_name":"Carcinogenicity Tests","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015197","descriptor_name":"Carcinogenicity Tests","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018675","descriptor_name":"Toxicity Tests","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018675","descriptor_name":"Toxicity Tests","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018675","descriptor_name":"Toxicity Tests","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1023/a:1025361621494","is_oa":false,"landing_page_url":"https://doi.org/10.1023/a:1025361621494","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:13677480","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/13677480","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":"Journal of computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.7900000214576721,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":50,"referenced_works":["https://openalex.org/W48027399","https://openalex.org/W1558773481","https://openalex.org/W1871503426","https://openalex.org/W1964558248","https://openalex.org/W1967938406","https://openalex.org/W1976624622","https://openalex.org/W1977628775","https://openalex.org/W1982595567","https://openalex.org/W1984098038","https://openalex.org/W1986222809","https://openalex.org/W1988242038","https://openalex.org/W1989369939","https://openalex.org/W2001664971","https://openalex.org/W2002405291","https://openalex.org/W2003128519","https://openalex.org/W2003956595","https://openalex.org/W2004794755","https://openalex.org/W2005121271","https://openalex.org/W2012101389","https://openalex.org/W2016964060","https://openalex.org/W2017398555","https://openalex.org/W2021031076","https://openalex.org/W2025870765","https://openalex.org/W2035742760","https://openalex.org/W2037498239","https://openalex.org/W2043261314","https://openalex.org/W2048013918","https://openalex.org/W2053207561","https://openalex.org/W2061111857","https://openalex.org/W2066092828","https://openalex.org/W2066328398","https://openalex.org/W2069895556","https://openalex.org/W2071844448","https://openalex.org/W2073150308","https://openalex.org/W2079436612","https://openalex.org/W2080530497","https://openalex.org/W2086106390","https://openalex.org/W2090382722","https://openalex.org/W2091331788","https://openalex.org/W2107114161","https://openalex.org/W2109291716","https://openalex.org/W2134898582","https://openalex.org/W2152649144","https://openalex.org/W2154183333","https://openalex.org/W2161723120","https://openalex.org/W2426620127","https://openalex.org/W2491791764","https://openalex.org/W2951614354","https://openalex.org/W2952798571","https://openalex.org/W6776944735"],"related_works":["https://openalex.org/W2900716511","https://openalex.org/W4388154985","https://openalex.org/W2809153532","https://openalex.org/W340514219","https://openalex.org/W2044165562","https://openalex.org/W2019776521","https://openalex.org/W2003657145","https://openalex.org/W4319348388","https://openalex.org/W3024824713","https://openalex.org/W1488011299"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":10},{"year":2024,"cited_by_count":11},{"year":2023,"cited_by_count":16},{"year":2022,"cited_by_count":14},{"year":2021,"cited_by_count":14},{"year":2020,"cited_by_count":8},{"year":2019,"cited_by_count":6},{"year":2018,"cited_by_count":11},{"year":2017,"cited_by_count":10},{"year":2016,"cited_by_count":10},{"year":2015,"cited_by_count":15},{"year":2014,"cited_by_count":12},{"year":2013,"cited_by_count":9},{"year":2012,"cited_by_count":21}],"updated_date":"2026-05-05T08:41:31.759640","created_date":"2025-10-10T00:00:00"}
