{"id":"https://openalex.org/W3213860599","doi":"https://doi.org/10.1109/iccse51940.2021.9569279","title":"Cropping Graph Convolution Neural Network for Prediction of Compound Carcinogenicity","display_name":"Cropping Graph Convolution Neural Network for Prediction of Compound Carcinogenicity","publication_year":2021,"publication_date":"2021-08-17","ids":{"openalex":"https://openalex.org/W3213860599","doi":"https://doi.org/10.1109/iccse51940.2021.9569279","mag":"3213860599"},"language":"en","primary_location":{"id":"doi:10.1109/iccse51940.2021.9569279","is_oa":false,"landing_page_url":"https://doi.org/10.1109/iccse51940.2021.9569279","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2021 16th International Conference on Computer Science &amp; Education (ICCSE)","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/A5111108279","display_name":"Xing Xiang","orcid":null},"institutions":[{"id":"https://openalex.org/I4387155567","display_name":"State Grid Hunan Electric Power Company Limited","ror":"https://ror.org/00e17m144","country_code":null,"type":"company","lineage":["https://openalex.org/I4387155567"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Xing Xiang","raw_affiliation_strings":["Information and Communication Branch of State Grid Hunan Electric Power Company Limited, Changsha, China"],"affiliations":[{"raw_affiliation_string":"Information and Communication Branch of State Grid Hunan Electric Power Company Limited, Changsha, China","institution_ids":["https://openalex.org/I4387155567"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100722130","display_name":"Yibo Chen","orcid":"https://orcid.org/0000-0002-7391-8790"},"institutions":[{"id":"https://openalex.org/I4387155567","display_name":"State Grid Hunan Electric Power Company Limited","ror":"https://ror.org/00e17m144","country_code":null,"type":"company","lineage":["https://openalex.org/I4387155567"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yibo Chen","raw_affiliation_strings":["Information and Communication Branch of State Grid Hunan Electric Power Company Limited, Changsha, China"],"affiliations":[{"raw_affiliation_string":"Information and Communication Branch of State Grid Hunan Electric Power Company Limited, Changsha, China","institution_ids":["https://openalex.org/I4387155567"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101868861","display_name":"Jun Gao","orcid":"https://orcid.org/0000-0003-1391-2036"},"institutions":[{"id":"https://openalex.org/I139660479","display_name":"Central South University","ror":"https://ror.org/00f1zfq44","country_code":"CN","type":"education","lineage":["https://openalex.org/I139660479"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jun Gao","raw_affiliation_strings":["School of Computer Science and Engineering, Central South University, Changsha, China"],"affiliations":[{"raw_affiliation_string":"School of Computer Science and Engineering, Central South University, Changsha, China","institution_ids":["https://openalex.org/I139660479"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002771011","display_name":"Ping Zhong","orcid":"https://orcid.org/0000-0003-3393-8874"},"institutions":[{"id":"https://openalex.org/I139660479","display_name":"Central South University","ror":"https://ror.org/00f1zfq44","country_code":"CN","type":"education","lineage":["https://openalex.org/I139660479"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Ping Zhong","raw_affiliation_strings":["School of Computer Science and Engineering, Central South University, Changsha, China"],"affiliations":[{"raw_affiliation_string":"School of Computer Science and Engineering, Central South University, Changsha, China","institution_ids":["https://openalex.org/I139660479"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045276990","display_name":"Hong Song","orcid":"https://orcid.org/0000-0003-3997-6468"},"institutions":[{"id":"https://openalex.org/I139660479","display_name":"Central South University","ror":"https://ror.org/00f1zfq44","country_code":"CN","type":"education","lineage":["https://openalex.org/I139660479"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hong Song","raw_affiliation_strings":["School of Computer Science and Engineering, Central South University, Changsha, China"],"affiliations":[{"raw_affiliation_string":"School of Computer Science and Engineering, Central South University, Changsha, China","institution_ids":["https://openalex.org/I139660479"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5060720664","display_name":"Jianliang Gao","orcid":"https://orcid.org/0000-0002-9363-9908"},"institutions":[{"id":"https://openalex.org/I139660479","display_name":"Central South University","ror":"https://ror.org/00f1zfq44","country_code":"CN","type":"education","lineage":["https://openalex.org/I139660479"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jianliang Gao","raw_affiliation_strings":["School of Computer Science and Engineering, Central South University, Changsha, China"],"affiliations":[{"raw_affiliation_string":"School of Computer Science and Engineering, Central South University, Changsha, China","institution_ids":["https://openalex.org/I139660479"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5111108279"],"corresponding_institution_ids":["https://openalex.org/I4387155567"],"apc_list":null,"apc_paid":null,"fwci":0.2959,"has_fulltext":false,"cited_by_count":2,"citation_normalized_percentile":{"value":0.62878166,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"12","issue":null,"first_page":"864","last_page":"869"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998000264167786,"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":0.9998000264167786,"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":0.9363999962806702,"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/T12254","display_name":"Machine Learning in Bioinformatics","score":0.9075999855995178,"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":0.6086206436157227},{"id":"https://openalex.org/keywords/pooling","display_name":"Pooling","score":0.5732218623161316},{"id":"https://openalex.org/keywords/graph","display_name":"Graph","score":0.5224456191062927},{"id":"https://openalex.org/keywords/convolution","display_name":"Convolution (computer science)","score":0.5087314248085022},{"id":"https://openalex.org/keywords/embedding","display_name":"Embedding","score":0.4577007591724396},{"id":"https://openalex.org/keywords/convolutional-neural-network","display_name":"Convolutional neural network","score":0.42233943939208984},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.4136006832122803},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.38393113017082214},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.3424907922744751},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.2800355553627014}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6086206436157227},{"id":"https://openalex.org/C70437156","wikidata":"https://www.wikidata.org/wiki/Q7228652","display_name":"Pooling","level":2,"score":0.5732218623161316},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.5224456191062927},{"id":"https://openalex.org/C45347329","wikidata":"https://www.wikidata.org/wiki/Q5166604","display_name":"Convolution (computer science)","level":3,"score":0.5087314248085022},{"id":"https://openalex.org/C41608201","wikidata":"https://www.wikidata.org/wiki/Q980509","display_name":"Embedding","level":2,"score":0.4577007591724396},{"id":"https://openalex.org/C81363708","wikidata":"https://www.wikidata.org/wiki/Q17084460","display_name":"Convolutional neural network","level":2,"score":0.42233943939208984},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.4136006832122803},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.38393113017082214},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.3424907922744751},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.2800355553627014}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1109/iccse51940.2021.9569279","is_oa":false,"landing_page_url":"https://doi.org/10.1109/iccse51940.2021.9569279","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2021 16th International Conference on Computer Science &amp; Education (ICCSE)","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.41999998688697815,"display_name":"Good health and well-being"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":15,"referenced_works":["https://openalex.org/W1482568066","https://openalex.org/W2025167103","https://openalex.org/W2135957668","https://openalex.org/W2163605009","https://openalex.org/W2166741044","https://openalex.org/W2519887557","https://openalex.org/W2624431344","https://openalex.org/W2765323781","https://openalex.org/W2912636151","https://openalex.org/W2945827377","https://openalex.org/W2964113829","https://openalex.org/W3034452783","https://openalex.org/W3035649237","https://openalex.org/W3101553402","https://openalex.org/W3122063025"],"related_works":["https://openalex.org/W2953234277","https://openalex.org/W2626256601","https://openalex.org/W2900413183","https://openalex.org/W4390975304","https://openalex.org/W147410782","https://openalex.org/W3022252430","https://openalex.org/W2810679507","https://openalex.org/W2964954556","https://openalex.org/W3019910406","https://openalex.org/W3015684221"],"abstract_inverted_index":{"In":[0,44,111],"drug":[1],"discovery,":[2],"the":[3,6,20,40,48,70,78,93,100,123,129,155],"assessment":[4],"of":[5,22,42,50,72,95,102,158],"compound":[7,14,27,51,73,147,159],"carcinogenicity":[8,23,59,74,160],"is":[9,54,117],"an":[10,55],"important":[11],"task.":[12],"Many":[13],"tests":[15,28],"have":[16],"been":[17],"conducted":[18],"in":[19,24,119],"determination":[21],"rodents.":[25],"However,":[26],"on":[29,63,92,143],"animals":[30],"are":[31],"expensive,":[32],"and":[33,66,126],"usually":[34],"too":[35],"slow":[36],"to":[37,46,90,106,121,134],"cope":[38],"with":[39],"number":[41],"chemicals.":[43],"order":[45],"reduce":[47],"cost":[49],"tests,":[52],"there":[53],"urgent":[56],"need":[57],"for":[58],"prediction":[60],"models":[61],"based":[62],"chemical":[64],"structure":[65],"properties.":[67],"Aiming":[68],"at":[69],"problem":[71],"prediction,":[75],"we":[76],"propose":[77],"Cropping":[79],"Graph":[80],"Convolution":[81],"Neural":[82],"Network":[83],"(CropGCN).":[84],"CropGCN":[85,120,153],"utilizes":[86],"clustering":[87],"convolution":[88],"(ClusterConv)":[89],"focus":[91],"aggregation":[94],"neighboring":[96],"atom":[97,104,109,124],"information,":[98],"avoiding":[99],"interference":[101],"far-topological":[103],"information":[105],"achieve":[107],"better":[108],"embeddings.":[110],"addition,":[112],"Node":[113],"Filter":[114],"Attention":[115],"(NFA)":[116],"designed":[118],"train":[122],"importance,":[125],"then":[127],"filters":[128],"lower":[130],"importance":[131],"ranked":[132],"atoms":[133],"obtain":[135],"high-quality":[136],"molecule":[137],"embedding":[138],"by":[139],"pooling.":[140],"Experimental":[141],"results":[142],"multiple":[144],"rodent":[145],"carcinogenic":[146],"datasets":[148],"show":[149],"that":[150],"our":[151],"proposed":[152],"achieves":[154],"best":[156],"accuracy":[157],"prediction.":[161]},"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
