{"id":"https://openalex.org/W3157382647","doi":"https://doi.org/10.1109/healthcom49281.2021.9399044","title":"Deep Learning for a Low-Data Drug Design System","display_name":"Deep Learning for a Low-Data Drug Design System","publication_year":2021,"publication_date":"2021-03-01","ids":{"openalex":"https://openalex.org/W3157382647","doi":"https://doi.org/10.1109/healthcom49281.2021.9399044","mag":"3157382647"},"language":"en","primary_location":{"id":"doi:10.1109/healthcom49281.2021.9399044","is_oa":false,"landing_page_url":"https://doi.org/10.1109/healthcom49281.2021.9399044","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2020 IEEE International Conference on E-health Networking, Application &amp; Services (HEALTHCOM)","raw_type":"proceedings-article"},"type":"article","indexed_in":["crossref"],"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/A5040647168","display_name":"Yuchen Qian","orcid":"https://orcid.org/0009-0004-6567-8792"},"institutions":[{"id":"https://openalex.org/I157394403","display_name":"Baylor University","ror":"https://ror.org/005781934","country_code":"US","type":"education","lineage":["https://openalex.org/I157394403"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Yuchen Qian","raw_affiliation_strings":["Electrical & Computer Engineering, Baylor University, USA"],"affiliations":[{"raw_affiliation_string":"Electrical & Computer Engineering, Baylor University, USA","institution_ids":["https://openalex.org/I157394403"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089918765","display_name":"Yuan Xing","orcid":"https://orcid.org/0000-0002-1567-4695"},"institutions":[{"id":"https://openalex.org/I1921588","display_name":"University of Wisconsin\u2013Stout","ror":"https://ror.org/01gb8pc70","country_code":"US","type":"education","lineage":["https://openalex.org/I1921588"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Yuan Xing","raw_affiliation_strings":["Engineering & Technology Department, University of Wisconsin-Stout, USA"],"affiliations":[{"raw_affiliation_string":"Engineering & Technology Department, University of Wisconsin-Stout, USA","institution_ids":["https://openalex.org/I1921588"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5071577305","display_name":"Liang Dong","orcid":"https://orcid.org/0000-0002-8585-1087"},"institutions":[{"id":"https://openalex.org/I157394403","display_name":"Baylor University","ror":"https://ror.org/005781934","country_code":"US","type":"education","lineage":["https://openalex.org/I157394403"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Liang Dong","raw_affiliation_strings":["Electrical & Computer Engineering, Baylor University, USA"],"affiliations":[{"raw_affiliation_string":"Electrical & Computer Engineering, Baylor University, USA","institution_ids":["https://openalex.org/I157394403"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5040647168"],"corresponding_institution_ids":["https://openalex.org/I157394403"],"apc_list":null,"apc_paid":null,"fwci":0.148,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.48444476,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":null,"issue":null,"first_page":"1","last_page":"4"},"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9872000217437744,"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"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9509000182151794,"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/computer-science","display_name":"Computer science","score":0.7454939484596252},{"id":"https://openalex.org/keywords/deep-learning","display_name":"Deep learning","score":0.7134490013122559},{"id":"https://openalex.org/keywords/reinforcement-learning","display_name":"Reinforcement learning","score":0.6742821931838989},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.614901065826416},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.5684228539466858},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.49505725502967834},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.47744566202163696},{"id":"https://openalex.org/keywords/deep-neural-networks","display_name":"Deep neural networks","score":0.4607459306716919},{"id":"https://openalex.org/keywords/process","display_name":"Process (computing)","score":0.44202157855033875},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.07798799872398376}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7454939484596252},{"id":"https://openalex.org/C108583219","wikidata":"https://www.wikidata.org/wiki/Q197536","display_name":"Deep learning","level":2,"score":0.7134490013122559},{"id":"https://openalex.org/C97541855","wikidata":"https://www.wikidata.org/wiki/Q830687","display_name":"Reinforcement learning","level":2,"score":0.6742821931838989},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.614901065826416},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.5684228539466858},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.49505725502967834},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.47744566202163696},{"id":"https://openalex.org/C2984842247","wikidata":"https://www.wikidata.org/wiki/Q197536","display_name":"Deep neural networks","level":3,"score":0.4607459306716919},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.44202157855033875},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.07798799872398376},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1109/healthcom49281.2021.9399044","is_oa":false,"landing_page_url":"https://doi.org/10.1109/healthcom49281.2021.9399044","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2020 IEEE International Conference on E-health Networking, Application &amp; Services (HEALTHCOM)","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":7,"referenced_works":["https://openalex.org/W2565684601","https://openalex.org/W2576404523","https://openalex.org/W2773987374","https://openalex.org/W2977044154","https://openalex.org/W2996091952","https://openalex.org/W3100751385","https://openalex.org/W6768561264"],"related_works":["https://openalex.org/W4306904969","https://openalex.org/W2138720691","https://openalex.org/W4362501864","https://openalex.org/W4377865163","https://openalex.org/W3193857078","https://openalex.org/W2888956734","https://openalex.org/W3000197790","https://openalex.org/W4315865067","https://openalex.org/W2979433843","https://openalex.org/W3208304128"],"abstract_inverted_index":{"Molecule":[0],"design":[1,55],"is":[2,41,58],"the":[3,79,86],"process":[4],"of":[5],"discovering":[6],"potential":[7],"compound":[8],"candidates":[9],"for":[10,26],"drug":[11,31,54],"discovery.":[12],"Deep":[13],"learning":[14,46,66],"technique":[15],"shows":[16],"significant":[17],"advantages":[18],"in":[19],"data":[20],"mining":[21],"and":[22,39,67,70],"can":[23,72,81],"be":[24],"used":[25],"molecule":[27],"design.":[28],"However,":[29],"most":[30],"discovery":[32],"projects":[33],"are":[34],"limited":[35],"to":[36,43],"low-data":[37,75],"situations,":[38],"it":[40,71],"difficult":[42],"train":[44],"deep":[45,61],"neural":[47],"networks.":[48],"This":[49],"paper":[50],"proposes":[51],"a":[52],"novel":[53],"system":[56,80],"that":[57],"based":[59],"on":[60],"learning.":[62],"It":[63],"adopts":[64],"one-shot":[65],"reinforcement":[68],"learning,":[69],"operate":[73],"under":[74],"conditions.":[76],"Once":[77],"trained,":[78],"generate":[82],"new":[83],"molecules":[84],"with":[85],"desired":[87],"properties.":[88]},"counts_by_year":[{"year":2023,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
