{"id":"https://openalex.org/W4226445735","doi":"https://doi.org/10.1145/3512452.3512453","title":"Predicting Anatomical Therapeutic Chemical Drug Classes from 17 molecules\u2019 Properties of Drugs by Multi-Label Binary Relevance Approach with MLSMOTE","display_name":"Predicting Anatomical Therapeutic Chemical Drug Classes from 17 molecules\u2019 Properties of Drugs by Multi-Label Binary Relevance Approach with MLSMOTE","publication_year":2021,"publication_date":"2021-12-26","ids":{"openalex":"https://openalex.org/W4226445735","doi":"https://doi.org/10.1145/3512452.3512453"},"language":"en","primary_location":{"id":"doi:10.1145/3512452.3512453","is_oa":false,"landing_page_url":"https://doi.org/10.1145/3512452.3512453","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2021 5th International Conference on Computational Biology and Bioinformatics","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/A5078520681","display_name":"Pranab Das","orcid":"https://orcid.org/0000-0002-3757-4118"},"institutions":[{"id":"https://openalex.org/I3131484930","display_name":"National Institute of Technology Nagaland","ror":"https://ror.org/04cbvzp68","country_code":"IN","type":"education","lineage":["https://openalex.org/I3131484930"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Pranab Das","raw_affiliation_strings":["Department of Computer Science & Engineering, National Institute of Technology Nagaland, India"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science & Engineering, National Institute of Technology Nagaland, India","institution_ids":["https://openalex.org/I3131484930"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5075818819","display_name":"Dilwar Hussain Mazumder","orcid":"https://orcid.org/0000-0002-6316-2977"},"institutions":[{"id":"https://openalex.org/I3131484930","display_name":"National Institute of Technology Nagaland","ror":"https://ror.org/04cbvzp68","country_code":"IN","type":"education","lineage":["https://openalex.org/I3131484930"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Dilwar Hussain Mazumder","raw_affiliation_strings":["Department of Computer Science & Engineering, National Institute of Technology Nagaland, India"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science & Engineering, National Institute of Technology Nagaland, India","institution_ids":["https://openalex.org/I3131484930"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5078520681"],"corresponding_institution_ids":["https://openalex.org/I3131484930"],"apc_list":null,"apc_paid":null,"fwci":1.5146,"has_fulltext":false,"cited_by_count":15,"citation_normalized_percentile":{"value":0.85550219,"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":"7"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9988999962806702,"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":0.9988999962806702,"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/T11550","display_name":"Text and Document Classification Technologies","score":0.9976999759674072,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"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/T12254","display_name":"Machine Learning in Bioinformatics","score":0.9952999949455261,"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/decision-tree","display_name":"Decision tree","score":0.7007759809494019},{"id":"https://openalex.org/keywords/random-forest","display_name":"Random forest","score":0.6896122694015503},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6854586601257324},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.6699565649032593},{"id":"https://openalex.org/keywords/binary-classification","display_name":"Binary classification","score":0.6640145778656006},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.6195573806762695},{"id":"https://openalex.org/keywords/relevance","display_name":"Relevance (law)","score":0.6194618344306946},{"id":"https://openalex.org/keywords/classifier","display_name":"Classifier (UML)","score":0.5610365271568298},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.5358750820159912},{"id":"https://openalex.org/keywords/drug-target","display_name":"Drug target","score":0.4919454753398895},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.49006927013397217},{"id":"https://openalex.org/keywords/binary-number","display_name":"Binary number","score":0.4745943248271942},{"id":"https://openalex.org/keywords/tree","display_name":"Tree (set theory)","score":0.45138034224510193},{"id":"https://openalex.org/keywords/cheminformatics","display_name":"Cheminformatics","score":0.4496121108531952},{"id":"https://openalex.org/keywords/multi-label-classification","display_name":"Multi-label classification","score":0.4367642104625702},{"id":"https://openalex.org/keywords/support-vector-machine","display_name":"Support vector machine","score":0.3084186315536499},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.13891932368278503},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.1194010078907013},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.10035330057144165}],"concepts":[{"id":"https://openalex.org/C84525736","wikidata":"https://www.wikidata.org/wiki/Q831366","display_name":"Decision tree","level":2,"score":0.7007759809494019},{"id":"https://openalex.org/C169258074","wikidata":"https://www.wikidata.org/wiki/Q245748","display_name":"Random forest","level":2,"score":0.6896122694015503},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6854586601257324},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.6699565649032593},{"id":"https://openalex.org/C66905080","wikidata":"https://www.wikidata.org/wiki/Q17005494","display_name":"Binary classification","level":3,"score":0.6640145778656006},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.6195573806762695},{"id":"https://openalex.org/C158154518","wikidata":"https://www.wikidata.org/wiki/Q7310970","display_name":"Relevance (law)","level":2,"score":0.6194618344306946},{"id":"https://openalex.org/C95623464","wikidata":"https://www.wikidata.org/wiki/Q1096149","display_name":"Classifier (UML)","level":2,"score":0.5610365271568298},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.5358750820159912},{"id":"https://openalex.org/C2989108626","wikidata":"https://www.wikidata.org/wiki/Q904407","display_name":"Drug target","level":2,"score":0.4919454753398895},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.49006927013397217},{"id":"https://openalex.org/C48372109","wikidata":"https://www.wikidata.org/wiki/Q3913","display_name":"Binary number","level":2,"score":0.4745943248271942},{"id":"https://openalex.org/C113174947","wikidata":"https://www.wikidata.org/wiki/Q2859736","display_name":"Tree (set theory)","level":2,"score":0.45138034224510193},{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.4496121108531952},{"id":"https://openalex.org/C2776482837","wikidata":"https://www.wikidata.org/wiki/Q3553958","display_name":"Multi-label classification","level":2,"score":0.4367642104625702},{"id":"https://openalex.org/C12267149","wikidata":"https://www.wikidata.org/wiki/Q282453","display_name":"Support vector machine","level":2,"score":0.3084186315536499},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.13891932368278503},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.1194010078907013},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.10035330057144165},{"id":"https://openalex.org/C199539241","wikidata":"https://www.wikidata.org/wiki/Q7748","display_name":"Law","level":1,"score":0.0},{"id":"https://openalex.org/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"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/C94375191","wikidata":"https://www.wikidata.org/wiki/Q11205","display_name":"Arithmetic","level":1,"score":0.0},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","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:10.1145/3512452.3512453","is_oa":false,"landing_page_url":"https://doi.org/10.1145/3512452.3512453","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2021 5th International Conference on Computational Biology and Bioinformatics","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":26,"referenced_works":["https://openalex.org/W1045349118","https://openalex.org/W1976582164","https://openalex.org/W1999954155","https://openalex.org/W2084267598","https://openalex.org/W2096021562","https://openalex.org/W2112243395","https://openalex.org/W2138745145","https://openalex.org/W2142572836","https://openalex.org/W2143792284","https://openalex.org/W2145827727","https://openalex.org/W2155653793","https://openalex.org/W2184452548","https://openalex.org/W2621574814","https://openalex.org/W2742340534","https://openalex.org/W2767245172","https://openalex.org/W2772308895","https://openalex.org/W2897753544","https://openalex.org/W2937307539","https://openalex.org/W2965979634","https://openalex.org/W2975087811","https://openalex.org/W2979645924","https://openalex.org/W3005076542","https://openalex.org/W3010610986","https://openalex.org/W3013769135","https://openalex.org/W3048118597","https://openalex.org/W3127602348"],"related_works":["https://openalex.org/W2510206144","https://openalex.org/W1991020953","https://openalex.org/W4376528628","https://openalex.org/W2444288055","https://openalex.org/W2964297678","https://openalex.org/W2264671791","https://openalex.org/W4205999209","https://openalex.org/W2739554176","https://openalex.org/W2900338305","https://openalex.org/W4308086152"],"abstract_inverted_index":{"Anatomical":[0],"Therapeutic":[1],"Chemical":[2],"(ATC)":[3],"classes":[4,47,94,101],"prediction":[5,102,189],"is":[6,103,148,152],"one":[7],"of":[8,18,34,37,64,69,145,190],"the":[9,13,30,38,49,67,91,96,155,171],"prominent":[10],"activities":[11],"in":[12,187],"costly":[14],"and":[15,32,61,108,138,168],"tedious":[16],"pipeline":[17],"drug":[19,59,80,92],"discovery":[20],"where":[21],"machine":[22,124],"learning":[23,125],"plays":[24],"an":[25],"important":[26],"role":[27],"by":[28],"minimizing":[29],"cost":[31],"time":[33],"prediction.":[35],"Most":[36],"existing":[39],"research":[40],"have":[41,73],"been":[42,76,115],"done":[43],"to":[44,78,117,176],"predict":[45,79],"ATC":[46,81,93,100,191],"from":[48,174],"chemical-chemical":[50],"association,":[51],"side-effects,":[52],"target":[53],"proteins,":[54],"gene":[55],"expressions,":[56],"chemical":[57],"structures,":[58],"targets,":[60],"textual":[62],"information":[63],"drugs.":[65],"However,":[66],"capability":[68],"17":[70,97,181],"molecules\u2019":[71,98,182],"properties":[72,183],"not":[74],"yet":[75],"explored":[77],"classes.":[82,192],"The":[83,142,162],"current":[84],"work":[85],"proposes":[86],"a":[87,104,110],"methodology":[88,164],"for":[89],"predicting":[90],"using":[95,154],"properties.":[99],"multi-label":[105,146],"classification":[106],"task":[107],"therefore,":[109],"binary":[111],"relevance":[112],"strategy":[113],"has":[114],"employed":[116],"solve":[118],"this":[119],"issue":[120],"with":[121],"four":[122],"basic":[123],"classifiers,":[126],"namely":[127],"K-Nearest":[128],"Neighbour":[129],"(KNN),":[130],"Extra":[131],"Tree":[132,140],"Classifier":[133],"(ETC),":[134],"Random":[135],"Forest":[136],"(RF),":[137],"Decision":[139],"(DT).":[141],"common":[143],"problem":[144],"datasets":[147],"class":[149],"imbalance":[150],"which":[151,178],"addressed":[153],"MLSMOTE":[156],"(Multi-Label":[157],"Synthetic":[158],"Minority":[159],"Over-Sampling":[160],"Technique).":[161],"proposed":[163],"exhibits":[165],"promising":[166],"results,":[167],"it":[169],"achieved":[170],"accuracy":[172],"ranging":[173],"96.90%":[175],"98.06%,":[177],"indicates":[179],"that":[180],"are":[184],"good":[185],"enough":[186],"efficient":[188]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":6}],"updated_date":"2026-04-15T08:11:43.952461","created_date":"2025-10-10T00:00:00"}