{"id":"https://openalex.org/W4387346511","doi":"https://doi.org/10.1145/3584371.3613051","title":"AutoML in Drug Discovery: Side-Effects Prediction Using AutoGluon Framework and Its Applications in Drug Discovery","display_name":"AutoML in Drug Discovery: Side-Effects Prediction Using AutoGluon Framework and Its Applications in Drug Discovery","publication_year":2023,"publication_date":"2023-09-03","ids":{"openalex":"https://openalex.org/W4387346511","doi":"https://doi.org/10.1145/3584371.3613051"},"language":"en","primary_location":{"id":"doi:10.1145/3584371.3613051","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3584371.3613051","pdf_url":"https://dl.acm.org/doi/pdf/10.1145/3584371.3613051","source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 14th ACM International Conference on Bioinformatics, Computational Biology, and Health Informatics","raw_type":"proceedings-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://dl.acm.org/doi/pdf/10.1145/3584371.3613051","any_repository_has_fulltext":null},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5101435114","display_name":"Ayush Garg","orcid":"https://orcid.org/0009-0006-8347-8465"},"institutions":[{"id":"https://openalex.org/I55215948","display_name":"Tata Consultancy Services (India)","ror":"https://ror.org/01b9n8m42","country_code":"IN","type":"company","lineage":["https://openalex.org/I4210086519","https://openalex.org/I55215948"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Ayush Garg","raw_affiliation_strings":["Life Sciences Research and Innovation Labs, Tata Consultancy Services Limited, Chennai, Tamil Nadu, India"],"raw_orcid":"https://orcid.org/0009-0006-8347-8465","affiliations":[{"raw_affiliation_string":"Life Sciences Research and Innovation Labs, Tata Consultancy Services Limited, Chennai, Tamil Nadu, India","institution_ids":["https://openalex.org/I55215948"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063954917","display_name":"Shyam Sundar Das","orcid":"https://orcid.org/0009-0004-9413-1753"},"institutions":[{"id":"https://openalex.org/I55215948","display_name":"Tata Consultancy Services (India)","ror":"https://ror.org/01b9n8m42","country_code":"IN","type":"company","lineage":["https://openalex.org/I4210086519","https://openalex.org/I55215948"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Shyam Sundar Das","raw_affiliation_strings":["Life Sciences Research and Innovation Labs, Tata Consultancy Services Limited, Chennai, Tamil Nadu, India"],"raw_orcid":"https://orcid.org/0009-0004-9413-1753","affiliations":[{"raw_affiliation_string":"Life Sciences Research and Innovation Labs, Tata Consultancy Services Limited, Chennai, Tamil Nadu, India","institution_ids":["https://openalex.org/I55215948"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5007730641","display_name":"Narayanan Ramamurthi","orcid":"https://orcid.org/0009-0001-1067-9040"},"institutions":[{"id":"https://openalex.org/I55215948","display_name":"Tata Consultancy Services (India)","ror":"https://ror.org/01b9n8m42","country_code":"IN","type":"company","lineage":["https://openalex.org/I4210086519","https://openalex.org/I55215948"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Narayanan Ramamurthi","raw_affiliation_strings":["Life Sciences Research and Innovation Labs, Tata Consultancy Services Limited, Chennai, Tamil Nadu, India"],"raw_orcid":"https://orcid.org/0009-0001-1067-9040","affiliations":[{"raw_affiliation_string":"Life Sciences Research and Innovation Labs, Tata Consultancy Services Limited, Chennai, Tamil Nadu, India","institution_ids":["https://openalex.org/I55215948"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5101435114"],"corresponding_institution_ids":["https://openalex.org/I55215948"],"apc_list":null,"apc_paid":null,"fwci":0.7759,"has_fulltext":true,"cited_by_count":4,"citation_normalized_percentile":{"value":0.76271243,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":96,"max":98},"biblio":{"volume":null,"issue":null,"first_page":"1","last_page":"1"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9997000098228455,"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":0.9997000098228455,"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":0.9966999888420105,"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/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":0.9743000268936157,"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/pubchem","display_name":"PubChem","score":0.7916975021362305},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.7096837162971497},{"id":"https://openalex.org/keywords/support-vector-machine","display_name":"Support vector machine","score":0.6838843822479248},{"id":"https://openalex.org/keywords/random-forest","display_name":"Random forest","score":0.6815789937973022},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6603326201438904},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.6006473302841187},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.5927687883377075},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.5475457906723022},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.44630852341651917},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.4452042281627655},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.4410783350467682},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.1676616370677948},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.13050901889801025},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.07980495691299438}],"concepts":[{"id":"https://openalex.org/C158180186","wikidata":"https://www.wikidata.org/wiki/Q278487","display_name":"PubChem","level":2,"score":0.7916975021362305},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.7096837162971497},{"id":"https://openalex.org/C12267149","wikidata":"https://www.wikidata.org/wiki/Q282453","display_name":"Support vector machine","level":2,"score":0.6838843822479248},{"id":"https://openalex.org/C169258074","wikidata":"https://www.wikidata.org/wiki/Q245748","display_name":"Random forest","level":2,"score":0.6815789937973022},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6603326201438904},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.6006473302841187},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.5927687883377075},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.5475457906723022},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.44630852341651917},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.4452042281627655},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.4410783350467682},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.1676616370677948},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.13050901889801025},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.07980495691299438},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"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/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1145/3584371.3613051","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3584371.3613051","pdf_url":"https://dl.acm.org/doi/pdf/10.1145/3584371.3613051","source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 14th ACM International Conference on Bioinformatics, Computational Biology, and Health Informatics","raw_type":"proceedings-article"}],"best_oa_location":{"id":"doi:10.1145/3584371.3613051","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3584371.3613051","pdf_url":"https://dl.acm.org/doi/pdf/10.1145/3584371.3613051","source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 14th ACM International Conference on Bioinformatics, Computational Biology, and Health Informatics","raw_type":"proceedings-article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4387346511.pdf","grobid_xml":"https://content.openalex.org/works/W4387346511.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2104366126","https://openalex.org/W2547231910","https://openalex.org/W2235675062","https://openalex.org/W2177317049","https://openalex.org/W4396689146","https://openalex.org/W4200112873","https://openalex.org/W2955796858","https://openalex.org/W4224941037","https://openalex.org/W2085398335","https://openalex.org/W2004826645"],"abstract_inverted_index":{"We":[0],"present":[1,48],"herein":[2],"an":[3],"efficient":[4],"AutoML":[5],"based":[6],"approach":[7],"using":[8],"AutoGluon":[9,64,100],"framework":[10],"for":[11,17,60],"the":[12,18,47,103],"prediction":[13],"of":[14,32,43],"1385":[15,53],"side-effects":[16,54],"first":[19],"time":[20,39],"in":[21,30],"literature,":[22],"which":[23],"offers":[24],"significant":[25],"advantages":[26],"over":[27],"reported":[28],"approaches,":[29],"terms":[31],"improved":[33],"predictive":[34],"performance":[35],"and":[36,40,109],"also,":[37],"saving":[38],"thus,":[41],"cost":[42],"drug":[44],"discovery.":[45],"In":[46],"study,":[49],"we":[50],"employed":[51],"i)":[52],"data":[55],"obtained":[56],"from":[57,97],"SIDER":[58],"database":[59],"888":[61],"drugs.":[62],"ii)":[63],"(AG).":[65],"iii)":[66],"three":[67],"machine":[68],"learning":[69],"(ML)":[70],"techniques":[71],"-":[72],"Support":[73],"Vector":[74],"Machine":[75],"(SVM),":[76],"Random":[77],"Forest":[78],"(RF),":[79],"Artificial":[80],"Neural":[81],"Network":[82],"(ANN).":[83],"iv)":[84],"Sparse":[85],"Canonical":[86],"Correlation":[87],"Analysis":[88],"(SCCA)":[89],"method.":[90],"v)":[91],"881":[92],"PubChem":[93],"fingerprints":[94],"chemical":[95],"features":[96],"PaDEL":[98],"software.":[99],"outperformed":[101],"all":[102],"other":[104],"manually":[105],"executed":[106],"ML":[107],"methods":[108],"published":[110],"results.":[111]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":3}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}