{"id":"https://openalex.org/W3082489997","doi":"https://doi.org/10.1016/j.asoc.2020.106678","title":"QN-Docking: An innovative molecular docking methodology based on Q-Networks","display_name":"QN-Docking: An innovative molecular docking methodology based on Q-Networks","publication_year":2020,"publication_date":"2020-09-01","ids":{"openalex":"https://openalex.org/W3082489997","doi":"https://doi.org/10.1016/j.asoc.2020.106678","mag":"3082489997"},"language":"en","primary_location":{"id":"doi:10.1016/j.asoc.2020.106678","doi":"https://doi.org/10.1016/j.asoc.2020.106678","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.asoc.2020.106678","pdf_url":"https://www.sciencedirect.com/science/article/pii/S1568494620306165","source":{"id":"https://openalex.org/S140556538","display_name":"Applied Soft Computing","issn_l":"1568-4946","issn":["1568-4946","1872-9681"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","dongbi-c","jufo-1","ki-jl-1","norway-2","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Applied Soft Computing","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://www.sciencedirect.com/science/article/pii/S1568494620306165","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5101695256","display_name":"Antonio Serrano","orcid":"https://orcid.org/0000-0002-8121-5032","observed_orcids":["https://orcid.org/0000-0002-8121-5032"]},"institutions":[{"id":"https://openalex.org/I68763199","display_name":"Universidad Cat\u00f3lica de Murcia","ror":"https://ror.org/05b1rsv17","country_code":"ES","type":"education","lineage":["https://openalex.org/I68763199"]}],"countries":["ES"],"is_corresponding":true,"raw_author_name":"Antonio Serrano","raw_affiliation_strings":["Universal Knowledge Enhancement by Multidisciplinary Implementation (UKEIM), Computer Engineering Department, Universidad Cat\u00f3lica de Murcia (UCAM), 30107 Murcia, Spain"],"raw_orcid":"https://orcid.org/0000-0002-8121-5032","affiliations":[{"raw_affiliation_string":"Universal Knowledge Enhancement by Multidisciplinary Implementation (UKEIM), Computer Engineering Department, Universidad Cat\u00f3lica de Murcia (UCAM), 30107 Murcia, Spain","institution_ids":["https://openalex.org/I68763199"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028232016","display_name":"Baldomero Imbern\u00f3n","orcid":"https://orcid.org/0000-0002-2758-8364","observed_orcids":["https://orcid.org/0000-0002-2758-8364"]},"institutions":[{"id":"https://openalex.org/I68763199","display_name":"Universidad Cat\u00f3lica de Murcia","ror":"https://ror.org/05b1rsv17","country_code":"ES","type":"education","lineage":["https://openalex.org/I68763199"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Baldomero Imbern\u00f3n","raw_affiliation_strings":["Universal Knowledge Enhancement by Multidisciplinary Implementation (UKEIM), Computer Engineering Department, Universidad Cat\u00f3lica de Murcia (UCAM), 30107 Murcia, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universal Knowledge Enhancement by Multidisciplinary Implementation (UKEIM), Computer Engineering Department, Universidad Cat\u00f3lica de Murcia (UCAM), 30107 Murcia, Spain","institution_ids":["https://openalex.org/I68763199"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037673215","display_name":"Horacio P\u00e9rez\u2010S\u00e1nchez","orcid":"https://orcid.org/0000-0003-4468-7898","observed_orcids":["https://orcid.org/0000-0003-4468-7898"]},"institutions":[{"id":"https://openalex.org/I68763199","display_name":"Universidad Cat\u00f3lica de Murcia","ror":"https://ror.org/05b1rsv17","country_code":"ES","type":"education","lineage":["https://openalex.org/I68763199"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Horacio P\u00e9rez-S\u00e1nchez","raw_affiliation_strings":["Structural Bioinformatics and High Performance Computing Research Group (BIO-HPC), Computer Engineering Department, Universidad Cat\u00f3lica de Murcia (UCAM), 30107 Murcia, Spain"],"raw_orcid":"https://orcid.org/0000-0003-4468-7898","affiliations":[{"raw_affiliation_string":"Structural Bioinformatics and High Performance Computing Research Group (BIO-HPC), Computer Engineering Department, Universidad Cat\u00f3lica de Murcia (UCAM), 30107 Murcia, Spain","institution_ids":["https://openalex.org/I68763199"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5088468258","display_name":"Jos\u00e9 Maria Cecilia","orcid":"https://orcid.org/0000-0001-5648-214X","observed_orcids":["https://orcid.org/0000-0001-5648-214X"]},"institutions":[{"id":"https://openalex.org/I60053951","display_name":"Universitat Polit\u00e8cnica de Val\u00e8ncia","ror":"https://ror.org/01460j859","country_code":"ES","type":"education","lineage":["https://openalex.org/I60053951"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Jos\u00e9 M. Cecilia","raw_affiliation_strings":["Computer Engineering Department (DISCA), Universitat Polit\u00e8cnica de Val\u00e8ncia (UPV), 46022 Valencia, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computer Engineering Department (DISCA), Universitat Polit\u00e8cnica de Val\u00e8ncia (UPV), 46022 Valencia, Spain","institution_ids":["https://openalex.org/I60053951"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5091232609","display_name":"Andr\u00e9s Bueno-Crespo","orcid":"https://orcid.org/0000-0003-1734-6852","observed_orcids":["https://orcid.org/0000-0003-1734-6852"]},"institutions":[{"id":"https://openalex.org/I68763199","display_name":"Universidad Cat\u00f3lica de Murcia","ror":"https://ror.org/05b1rsv17","country_code":"ES","type":"education","lineage":["https://openalex.org/I68763199"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Andr\u00e9s Bueno-Crespo","raw_affiliation_strings":["Universal Knowledge Enhancement by Multidisciplinary Implementation (UKEIM), Computer Engineering Department, Universidad Cat\u00f3lica de Murcia (UCAM), 30107 Murcia, Spain"],"raw_orcid":"https://orcid.org/0000-0003-1734-6852","affiliations":[{"raw_affiliation_string":"Universal Knowledge Enhancement by Multidisciplinary Implementation (UKEIM), Computer Engineering Department, Universidad Cat\u00f3lica de Murcia (UCAM), 30107 Murcia, Spain","institution_ids":["https://openalex.org/I68763199"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5133594463","display_name":"Jos\u00e9 Luis Abell\u00e1n","orcid":"https://orcid.org/0000-0003-3550-720X","observed_orcids":["https://orcid.org/0000-0003-3550-720X"]},"institutions":[{"id":"https://openalex.org/I68763199","display_name":"Universidad Cat\u00f3lica de Murcia","ror":"https://ror.org/05b1rsv17","country_code":"ES","type":"education","lineage":["https://openalex.org/I68763199"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Jos\u00e9 L. Abell\u00e1n","raw_affiliation_strings":["Universal Knowledge Enhancement by Multidisciplinary Implementation (UKEIM), Computer Engineering Department, Universidad Cat\u00f3lica de Murcia (UCAM), 30107 Murcia, Spain"],"raw_orcid":"https://orcid.org/0000-0003-3550-720X","affiliations":[{"raw_affiliation_string":"Universal Knowledge Enhancement by Multidisciplinary Implementation (UKEIM), Computer Engineering Department, Universidad Cat\u00f3lica de Murcia (UCAM), 30107 Murcia, Spain","institution_ids":["https://openalex.org/I68763199"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5101695256"],"corresponding_institution_ids":["https://openalex.org/I68763199"],"apc_list":{"value":2160,"currency":"USD","value_usd":2160},"apc_paid":null,"fwci":0.5643,"has_fulltext":true,"cited_by_count":13,"citation_normalized_percentile":{"value":0.64014994,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":87,"max":97},"biblio":{"volume":"96","issue":null,"first_page":"106678","last_page":"106678"},"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/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":1.0,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.0,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.0,"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/q-learning","display_name":"Q-learning","score":0.7889999747276306},{"id":"https://openalex.org/keywords/reinforcement-learning","display_name":"reinforcement learning","score":0.8009999990463257},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.9729999899864197},{"id":"https://openalex.org/keywords/feedforward-neural-networks","display_name":"feedforward neural networks","score":0.8090000152587891},{"id":"https://openalex.org/keywords/reward-function","display_name":"reward function","score":0.699999988079071},{"id":"https://openalex.org/keywords/kaempferol","display_name":"kaempferol","score":0.8679999709129333},{"id":"https://openalex.org/keywords/beta-cyclodextrin","display_name":"\u03b2-cyclodextrin","score":0.9980000257492065},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"drug discovery","score":0.6620000004768372},{"id":"https://openalex.org/keywords/computational-efficiency","display_name":"computational efficiency","score":0.5540000200271606}],"concepts":[{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.8582714796066284},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6942077279090881},{"id":"https://openalex.org/C77319485","wikidata":"https://www.wikidata.org/wiki/Q7251520","display_name":"Protein\u2013ligand docking","level":4,"score":0.6593787670135498},{"id":"https://openalex.org/C2780152424","wikidata":"https://www.wikidata.org/wiki/Q4826062","display_name":"AutoDock","level":4,"score":0.6310005187988281},{"id":"https://openalex.org/C68339613","wikidata":"https://www.wikidata.org/wiki/Q1549489","display_name":"Speedup","level":2,"score":0.45916587114334106},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.38028910756111145},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.3553588390350342},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.3400527536869049},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.1991826295852661},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.14866361021995544},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.1233607828617096},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","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/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1016/j.asoc.2020.106678","doi":"https://doi.org/10.1016/j.asoc.2020.106678","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.asoc.2020.106678","pdf_url":"https://www.sciencedirect.com/science/article/pii/S1568494620306165","source":{"id":"https://openalex.org/S140556538","display_name":"Applied Soft Computing","issn_l":"1568-4946","issn":["1568-4946","1872-9681"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","dongbi-c","jufo-1","ki-jl-1","norway-2","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Applied Soft Computing","raw_type":"journal-article"},{"id":"pmh:oai:riunet.upv.es:10251/166344","doi":null,"is_oa":true,"landing_page_url":"http://hdl.handle.net/10251/166344","pdf_url":null,"source":{"id":"https://openalex.org/S4306400639","display_name":"RiuNet (Universitat Polit\u00e8cnica de Val\u00e8ncia)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I60053951","host_organization_name":"Universitat Polit\u00e8cnica de Val\u00e8ncia","host_organization_lineage":["https://openalex.org/I60053951"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"doi:10.1016/j.asoc.2020.106678","doi":"https://doi.org/10.1016/j.asoc.2020.106678","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.asoc.2020.106678","pdf_url":"https://www.sciencedirect.com/science/article/pii/S1568494620306165","source":{"id":"https://openalex.org/S140556538","display_name":"Applied Soft Computing","issn_l":"1568-4946","issn":["1568-4946","1872-9681"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","dongbi-c","jufo-1","ki-jl-1","norway-2","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Applied Soft Computing","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G1057894761","display_name":null,"funder_award_id":"RTI2018-096384-B-I00","funder_id":"https://openalex.org/F4320322930","funder_display_name":"Ministerio de Ciencia e Innovaci\u00f3n"},{"id":"https://openalex.org/G2700024193","display_name":null,"funder_award_id":"RYC2018-025580-I","funder_id":"https://openalex.org/F4320322930","funder_display_name":"Ministerio de Ciencia e Innovaci\u00f3n"},{"id":"https://openalex.org/G3467720954","display_name":null,"funder_award_id":"20988/PI/18","funder_id":"https://openalex.org/F4320325876","funder_display_name":"Fundaci\u00f3n para la Formaci\u00f3n e Investigaci\u00f3n Sanitarias de la Regi\u00f3n de Murcia"},{"id":"https://openalex.org/G5533524721","display_name":null,"funder_award_id":"CTQ2017-87974-R","funder_id":"https://openalex.org/F4320322930","funder_display_name":"Ministerio de Ciencia e Innovaci\u00f3n"},{"id":"https://openalex.org/G8940867230","display_name":null,"funder_award_id":"20813/PI/18","funder_id":"https://openalex.org/F4320325876","funder_display_name":"Fundaci\u00f3n para la Formaci\u00f3n e Investigaci\u00f3n Sanitarias de la Regi\u00f3n de Murcia"},{"id":"https://openalex.org/G992337836","display_name":null,"funder_award_id":"20524/PDC/18","funder_id":"https://openalex.org/F4320325876","funder_display_name":"Fundaci\u00f3n para la Formaci\u00f3n e Investigaci\u00f3n Sanitarias de la Regi\u00f3n de Murcia"}],"funders":[{"id":"https://openalex.org/F4320309820","display_name":"Universitetet i Troms\u00f8","ror":"https://ror.org/00wge5k78"},{"id":"https://openalex.org/F4320310087","display_name":"Fundaci\u00f3n S\u00e9neca","ror":"https://ror.org/03q68pf65"},{"id":"https://openalex.org/F4320322930","display_name":"Ministerio de Ciencia e Innovaci\u00f3n","ror":null},{"id":"https://openalex.org/F4320323299","display_name":"Norges Forskningsr\u00e5d","ror":"https://ror.org/00epmv149"},{"id":"https://openalex.org/F4320325876","display_name":"Fundaci\u00f3n para la Formaci\u00f3n e Investigaci\u00f3n Sanitarias de la Regi\u00f3n de Murcia","ror":null}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3082489997.pdf","grobid_xml":"https://content.openalex.org/works/W3082489997.grobid-xml"},"referenced_works_count":68,"referenced_works":["https://openalex.org/W32403112","https://openalex.org/W74826915","https://openalex.org/W1522301498","https://openalex.org/W1539372622","https://openalex.org/W1653739410","https://openalex.org/W1986240377","https://openalex.org/W1992787746","https://openalex.org/W2013085020","https://openalex.org/W2028629022","https://openalex.org/W2033882981","https://openalex.org/W2036895807","https://openalex.org/W2046258407","https://openalex.org/W2050273205","https://openalex.org/W2063908367","https://openalex.org/W2076063813","https://openalex.org/W2124175081","https://openalex.org/W2134967712","https://openalex.org/W2141559645","https://openalex.org/W2145339207","https://openalex.org/W2152630148","https://openalex.org/W2155968351","https://openalex.org/W2163605009","https://openalex.org/W2173564293","https://openalex.org/W2176516200","https://openalex.org/W2201581102","https://openalex.org/W2257979135","https://openalex.org/W2497714988","https://openalex.org/W2526925775","https://openalex.org/W2540540415","https://openalex.org/W2557283755","https://openalex.org/W2578119541","https://openalex.org/W2580175322","https://openalex.org/W2583907533","https://openalex.org/W2591984255","https://openalex.org/W2594183968","https://openalex.org/W2600072887","https://openalex.org/W2604272474","https://openalex.org/W2604306554","https://openalex.org/W2610148085","https://openalex.org/W2617750324","https://openalex.org/W2746340587","https://openalex.org/W2747592475","https://openalex.org/W2749604329","https://openalex.org/W2766178498","https://openalex.org/W2766447205","https://openalex.org/W2773987374","https://openalex.org/W2781821160","https://openalex.org/W2784213390","https://openalex.org/W2790808809","https://openalex.org/W2794434752","https://openalex.org/W2809595040","https://openalex.org/W2835515562","https://openalex.org/W2860514273","https://openalex.org/W2886544065","https://openalex.org/W2886645617","https://openalex.org/W2897493330","https://openalex.org/W2901973152","https://openalex.org/W2912171584","https://openalex.org/W2914584698","https://openalex.org/W2919115771","https://openalex.org/W2946033719","https://openalex.org/W2964677890","https://openalex.org/W3001419568","https://openalex.org/W4212774754","https://openalex.org/W4245985325","https://openalex.org/W4252520800","https://openalex.org/W4394670654","https://openalex.org/W7103363508"],"related_works":["https://openalex.org/W7132483044","https://openalex.org/W2886645617","https://openalex.org/W4399461064","https://openalex.org/W4401075598","https://openalex.org/W3081574977","https://openalex.org/W4391244285","https://openalex.org/W4394838845","https://openalex.org/W7162794699","https://openalex.org/W4385248163","https://openalex.org/W6998882381"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":1}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2020-09-08T00:00:00"}