{"id":"https://openalex.org/W2980038927","doi":"https://doi.org/10.1093/bioinformatics/btz783","title":"DRUDIT: web-based DRUgs DIscovery Tools to design small molecules as modulators of biological targets","display_name":"DRUDIT: web-based DRUgs DIscovery Tools to design small molecules as modulators of biological targets","publication_year":2019,"publication_date":"2019-10-10","ids":{"openalex":"https://openalex.org/W2980038927","doi":"https://doi.org/10.1093/bioinformatics/btz783","mag":"2980038927","pmid":"https://pubmed.ncbi.nlm.nih.gov/31605102"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btz783","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btz783","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/36/5/1562/32793911/btz783.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/36/5/1562/32793911/btz783.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5070066300","display_name":"Antonino Lauria","orcid":"https://orcid.org/0000-0002-5116-6815"},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Antonino Lauria","raw_affiliation_strings":["Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche \u201cSTEBICEF\u201d","Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche \"STEBICEF\""],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche \u201cSTEBICEF\u201d","institution_ids":[]},{"raw_affiliation_string":"Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche \"STEBICEF\"","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102872693","display_name":"Salvatore Mannino","orcid":"https://orcid.org/0000-0003-0705-5816"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Salvatore Mannino","raw_affiliation_strings":["Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche \u201cSTEBICEF\u201d","Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche \"STEBICEF\""],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche \u201cSTEBICEF\u201d","institution_ids":[]},{"raw_affiliation_string":"Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche \"STEBICEF\"","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5080641039","display_name":"Carla Gentile","orcid":"https://orcid.org/0000-0001-5861-3342"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Carla Gentile","raw_affiliation_strings":["Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche \u201cSTEBICEF\u201d","Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche \"STEBICEF\""],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche \u201cSTEBICEF\u201d","institution_ids":[]},{"raw_affiliation_string":"Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche \"STEBICEF\"","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046011079","display_name":"Giuseppe Mannino","orcid":"https://orcid.org/0000-0003-0047-978X"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Giuseppe Mannino","raw_affiliation_strings":["Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche \u201cSTEBICEF\u201d","Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche \"STEBICEF\""],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche \u201cSTEBICEF\u201d","institution_ids":[]},{"raw_affiliation_string":"Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche \"STEBICEF\"","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5027404252","display_name":"Annamaria Martorana","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Annamaria Martorana","raw_affiliation_strings":["Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche \u201cSTEBICEF\u201d","Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche \"STEBICEF\""],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche \u201cSTEBICEF\u201d","institution_ids":[]},{"raw_affiliation_string":"Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche \"STEBICEF\"","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5033631606","display_name":"Daniele Peri","orcid":"https://orcid.org/0000-0002-8763-7199"},"institutions":[{"id":"https://openalex.org/I900890020","display_name":"University of Palermo","ror":"https://ror.org/044k9ta02","country_code":"IT","type":"education","lineage":["https://openalex.org/I900890020"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Daniele Peri","raw_affiliation_strings":["Dipartimento di Ingegneria, University of Palermo , Palermo I-90128, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Ingegneria, University of Palermo , Palermo I-90128, Italy","institution_ids":["https://openalex.org/I900890020"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5070066300"],"corresponding_institution_ids":[],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":null,"fwci":2.7941,"has_fulltext":false,"cited_by_count":26,"citation_normalized_percentile":{"value":0.91642801,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":94,"max":99},"biblio":{"volume":"36","issue":"5","first_page":"1562","last_page":"1569"},"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/T10274","display_name":"Synthesis and biological activity","score":0.9865999817848206,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"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/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.9771000146865845,"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/computer-science","display_name":"Computer science","score":0.7557477355003357},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.6364895105361938},{"id":"https://openalex.org/keywords/scope","display_name":"Scope (computer science)","score":0.5636742115020752},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.4968612492084503},{"id":"https://openalex.org/keywords/web-server","display_name":"Web server","score":0.48922085762023926},{"id":"https://openalex.org/keywords/web-service","display_name":"Web service","score":0.46977609395980835},{"id":"https://openalex.org/keywords/biological-data","display_name":"Biological data","score":0.41443198919296265},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.34713757038116455},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.3234291672706604},{"id":"https://openalex.org/keywords/the-internet","display_name":"The Internet","score":0.26630139350891113},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.22651368379592896},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.17813539505004883},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.11037328839302063},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.09149312973022461}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7557477355003357},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.6364895105361938},{"id":"https://openalex.org/C2778012447","wikidata":"https://www.wikidata.org/wiki/Q1034415","display_name":"Scope (computer science)","level":2,"score":0.5636742115020752},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.4968612492084503},{"id":"https://openalex.org/C11392498","wikidata":"https://www.wikidata.org/wiki/Q11288","display_name":"Web server","level":3,"score":0.48922085762023926},{"id":"https://openalex.org/C35578498","wikidata":"https://www.wikidata.org/wiki/Q193424","display_name":"Web service","level":2,"score":0.46977609395980835},{"id":"https://openalex.org/C201797286","wikidata":"https://www.wikidata.org/wiki/Q4914986","display_name":"Biological data","level":2,"score":0.41443198919296265},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.34713757038116455},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.3234291672706604},{"id":"https://openalex.org/C110875604","wikidata":"https://www.wikidata.org/wiki/Q75","display_name":"The Internet","level":2,"score":0.26630139350891113},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.22651368379592896},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.17813539505004883},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.11037328839302063},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.09149312973022461}],"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":"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":"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":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D064798","descriptor_name":"Polypharmacology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D064798","descriptor_name":"Polypharmacology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D064798","descriptor_name":"Polypharmacology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":4,"locations":[{"id":"doi:10.1093/bioinformatics/btz783","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btz783","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/36/5/1562/32793911/btz783.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:31605102","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/31605102","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:iris.unipa.it:10447/407323","is_oa":true,"landing_page_url":"http://hdl.handle.net/10447/407323","pdf_url":null,"source":{"id":"https://openalex.org/S4306401065","display_name":"Nova Science Publishers (Nova Science Publishers, Inc.)","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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:zenodo.org:100863","is_oa":true,"landing_page_url":"https://www.openaccessrepository.it/record/100863","pdf_url":null,"source":{"id":"https://openalex.org/S4306402478","display_name":"INFM-OAR (INFN Catania)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210116497","host_organization_name":"Istituto Nazionale di Fisica Nucleare, Sezione di Catania","host_organization_lineage":["https://openalex.org/I4210116497"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"doi:10.1093/bioinformatics/btz783","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btz783","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/36/5/1562/32793911/btz783.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":[{"score":0.46000000834465027,"id":"https://metadata.un.org/sdg/10","display_name":"Reduced inequalities"},{"score":0.41999998688697815,"id":"https://metadata.un.org/sdg/16","display_name":"Peace, Justice and strong institutions"}],"awards":[{"id":"https://openalex.org/G4854953944","display_name":null,"funder_award_id":"PJ_RIC_FFABR_2017_005832","funder_id":"https://openalex.org/F4320322991","funder_display_name":"Universit\u00e0 degli Studi di Palermo"}],"funders":[{"id":"https://openalex.org/F4320322991","display_name":"Universit\u00e0 degli Studi di Palermo","ror":"https://ror.org/044k9ta02"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2980038927.pdf","grobid_xml":"https://content.openalex.org/works/W2980038927.grobid-xml"},"referenced_works_count":25,"referenced_works":["https://openalex.org/W1916932902","https://openalex.org/W1940331911","https://openalex.org/W1968562507","https://openalex.org/W1968646312","https://openalex.org/W1975691556","https://openalex.org/W1982101530","https://openalex.org/W1985588649","https://openalex.org/W1993157948","https://openalex.org/W2003831539","https://openalex.org/W2006120055","https://openalex.org/W2010505546","https://openalex.org/W2024908724","https://openalex.org/W2049637602","https://openalex.org/W2073059190","https://openalex.org/W2096541451","https://openalex.org/W2096864392","https://openalex.org/W2103544616","https://openalex.org/W2127553917","https://openalex.org/W2129153475","https://openalex.org/W2279500636","https://openalex.org/W2317384174","https://openalex.org/W2397026425","https://openalex.org/W2486185967","https://openalex.org/W2804288893","https://openalex.org/W6640168304"],"related_works":["https://openalex.org/W178231042","https://openalex.org/W2360028903","https://openalex.org/W4280543773","https://openalex.org/W2366083136","https://openalex.org/W2387622493","https://openalex.org/W2808360891","https://openalex.org/W1932132538","https://openalex.org/W2357832196","https://openalex.org/W2362452928","https://openalex.org/W4200375594"],"abstract_inverted_index":{"Supplementary":[0],"data":[1],"are":[2],"available":[3],"at":[4],"Bioinformatics":[5],"online.":[6]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":7},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":7},{"year":2020,"cited_by_count":5}],"updated_date":"2026-03-20T23:20:44.827607","created_date":"2025-10-10T00:00:00"}
