{"id":"https://openalex.org/W4312095924","doi":"https://doi.org/10.1109/cisp-bmei56279.2022.9980166","title":"A Gated Spatial-Channel Transformer Network for the Prediction of Molecular Properties","display_name":"A Gated Spatial-Channel Transformer Network for the Prediction of Molecular Properties","publication_year":2022,"publication_date":"2022-11-05","ids":{"openalex":"https://openalex.org/W4312095924","doi":"https://doi.org/10.1109/cisp-bmei56279.2022.9980166"},"language":"en","primary_location":{"id":"doi:10.1109/cisp-bmei56279.2022.9980166","is_oa":false,"landing_page_url":"https://doi.org/10.1109/cisp-bmei56279.2022.9980166","pdf_url":null,"source":{"id":"https://openalex.org/S4363605502","display_name":"2022 15th International Congress on Image and Signal Processing, BioMedical Engineering and Informatics (CISP-BMEI)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"conference"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2022 15th International Congress on Image and Signal Processing, BioMedical Engineering and Informatics (CISP-BMEI)","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/A5083261727","display_name":"Jiahao Shen","orcid":null},"institutions":[{"id":"https://openalex.org/I78675632","display_name":"Beijing Information Science & Technology University","ror":"https://ror.org/04xnqep60","country_code":"CN","type":"education","lineage":["https://openalex.org/I78675632"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Jiahao Shen","raw_affiliation_strings":["Beijing Information Science and Technology University,Laboratory of Data Science and Information Studies,Beijing,China,100101"],"affiliations":[{"raw_affiliation_string":"Beijing Information Science and Technology University,Laboratory of Data Science and Information Studies,Beijing,China,100101","institution_ids":["https://openalex.org/I78675632"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085242859","display_name":"Qiang Tong","orcid":"https://orcid.org/0000-0003-0508-0727"},"institutions":[{"id":"https://openalex.org/I78675632","display_name":"Beijing Information Science & Technology University","ror":"https://ror.org/04xnqep60","country_code":"CN","type":"education","lineage":["https://openalex.org/I78675632"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Qiang Tong","raw_affiliation_strings":["Beijing Information Science and Technology University,Laboratory of Data Science and Information Studies,Beijing,China,100101","Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Information Science and Technology University, Beijing, China"],"affiliations":[{"raw_affiliation_string":"Beijing Information Science and Technology University,Laboratory of Data Science and Information Studies,Beijing,China,100101","institution_ids":["https://openalex.org/I78675632"]},{"raw_affiliation_string":"Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Information Science and Technology University, Beijing, China","institution_ids":["https://openalex.org/I78675632"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071655887","display_name":"Zhanqi Cui","orcid":"https://orcid.org/0000-0002-5537-9236"},"institutions":[{"id":"https://openalex.org/I78675632","display_name":"Beijing Information Science & Technology University","ror":"https://ror.org/04xnqep60","country_code":"CN","type":"education","lineage":["https://openalex.org/I78675632"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhanqi Cui","raw_affiliation_strings":["Beijing Information Science and Technology University,Laboratory of Data Science and Information Studies,Beijing,China,100101"],"affiliations":[{"raw_affiliation_string":"Beijing Information Science and Technology University,Laboratory of Data Science and Information Studies,Beijing,China,100101","institution_ids":["https://openalex.org/I78675632"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Zanqiang Dong","orcid":null},"institutions":[{"id":"https://openalex.org/I192868223","display_name":"Zhengzhou University of Aeronautics","ror":"https://ror.org/01qjyzh50","country_code":"CN","type":"education","lineage":["https://openalex.org/I192868223"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zanqiang Dong","raw_affiliation_strings":["Zhengzhou University of Aeronautics,Henan,China,450046"],"affiliations":[{"raw_affiliation_string":"Zhengzhou University of Aeronautics,Henan,China,450046","institution_ids":["https://openalex.org/I192868223"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5002399867","display_name":"Xiulei Liu","orcid":"https://orcid.org/0000-0002-9303-3682"},"institutions":[{"id":"https://openalex.org/I78675632","display_name":"Beijing Information Science & Technology University","ror":"https://ror.org/04xnqep60","country_code":"CN","type":"education","lineage":["https://openalex.org/I78675632"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiulei Liu","raw_affiliation_strings":["Beijing Information Science and Technology University,Laboratory of Data Science and Information Studies,Beijing,China,100101","Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Information Science and Technology University, Beijing, China"],"affiliations":[{"raw_affiliation_string":"Beijing Information Science and Technology University,Laboratory of Data Science and Information Studies,Beijing,China,100101","institution_ids":["https://openalex.org/I78675632"]},{"raw_affiliation_string":"Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Information Science and Technology University, Beijing, China","institution_ids":["https://openalex.org/I78675632"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5083261727"],"corresponding_institution_ids":["https://openalex.org/I78675632"],"apc_list":null,"apc_paid":null,"fwci":0.2609,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.42006525,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":94},"biblio":{"volume":null,"issue":null,"first_page":"1","last_page":"6"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998999834060669,"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":0.9998999834060669,"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":0.9995999932289124,"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/T12613","display_name":"X-ray Diffraction in Crystallography","score":0.9419000148773193,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6293809413909912},{"id":"https://openalex.org/keywords/merge","display_name":"Merge (version control)","score":0.5685699582099915},{"id":"https://openalex.org/keywords/channel","display_name":"Channel (broadcasting)","score":0.520694375038147},{"id":"https://openalex.org/keywords/spatial-analysis","display_name":"Spatial analysis","score":0.49414899945259094},{"id":"https://openalex.org/keywords/transformer","display_name":"Transformer","score":0.4700913429260254},{"id":"https://openalex.org/keywords/voxel","display_name":"Voxel","score":0.46390268206596375},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.3308589458465576},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.2812587022781372},{"id":"https://openalex.org/keywords/voltage","display_name":"Voltage","score":0.13586676120758057},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.13080322742462158},{"id":"https://openalex.org/keywords/electrical-engineering","display_name":"Electrical engineering","score":0.12379148602485657},{"id":"https://openalex.org/keywords/computer-network","display_name":"Computer network","score":0.10958296060562134},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.09509196877479553}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6293809413909912},{"id":"https://openalex.org/C197129107","wikidata":"https://www.wikidata.org/wiki/Q1921621","display_name":"Merge (version control)","level":2,"score":0.5685699582099915},{"id":"https://openalex.org/C127162648","wikidata":"https://www.wikidata.org/wiki/Q16858953","display_name":"Channel (broadcasting)","level":2,"score":0.520694375038147},{"id":"https://openalex.org/C159620131","wikidata":"https://www.wikidata.org/wiki/Q1938983","display_name":"Spatial analysis","level":2,"score":0.49414899945259094},{"id":"https://openalex.org/C66322947","wikidata":"https://www.wikidata.org/wiki/Q11658","display_name":"Transformer","level":3,"score":0.4700913429260254},{"id":"https://openalex.org/C54170458","wikidata":"https://www.wikidata.org/wiki/Q663554","display_name":"Voxel","level":2,"score":0.46390268206596375},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.3308589458465576},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2812587022781372},{"id":"https://openalex.org/C165801399","wikidata":"https://www.wikidata.org/wiki/Q25428","display_name":"Voltage","level":2,"score":0.13586676120758057},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.13080322742462158},{"id":"https://openalex.org/C119599485","wikidata":"https://www.wikidata.org/wiki/Q43035","display_name":"Electrical engineering","level":1,"score":0.12379148602485657},{"id":"https://openalex.org/C31258907","wikidata":"https://www.wikidata.org/wiki/Q1301371","display_name":"Computer network","level":1,"score":0.10958296060562134},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.09509196877479553},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.0},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","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/cisp-bmei56279.2022.9980166","is_oa":false,"landing_page_url":"https://doi.org/10.1109/cisp-bmei56279.2022.9980166","pdf_url":null,"source":{"id":"https://openalex.org/S4363605502","display_name":"2022 15th International Congress on Image and Signal Processing, BioMedical Engineering and Informatics (CISP-BMEI)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"conference"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2022 15th International Congress on Image and Signal Processing, BioMedical Engineering and Informatics (CISP-BMEI)","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G6988370483","display_name":null,"funder_award_id":"2021YFB2600600","funder_id":"https://openalex.org/F4320335777","funder_display_name":"National Key Research and Development Program of China"}],"funders":[{"id":"https://openalex.org/F4320335777","display_name":"National Key Research and Development Program of China","ror":null}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":46,"referenced_works":["https://openalex.org/W6908809","https://openalex.org/W1508604947","https://openalex.org/W1975147762","https://openalex.org/W1988037271","https://openalex.org/W1992156271","https://openalex.org/W2080635178","https://openalex.org/W2095168618","https://openalex.org/W2133564696","https://openalex.org/W2290847742","https://openalex.org/W2397757171","https://openalex.org/W2527189750","https://openalex.org/W2583907533","https://openalex.org/W2611386757","https://openalex.org/W2736137960","https://openalex.org/W2739455021","https://openalex.org/W2747592475","https://openalex.org/W2752782242","https://openalex.org/W2766856748","https://openalex.org/W2778051509","https://openalex.org/W2784213390","https://openalex.org/W2883583109","https://openalex.org/W2884585870","https://openalex.org/W2914877211","https://openalex.org/W2962810718","https://openalex.org/W2964231884","https://openalex.org/W2973114758","https://openalex.org/W3007488165","https://openalex.org/W3035502324","https://openalex.org/W3100086694","https://openalex.org/W3100157108","https://openalex.org/W3104644561","https://openalex.org/W3110563343","https://openalex.org/W3138516171","https://openalex.org/W3145734614","https://openalex.org/W3190109658","https://openalex.org/W4211165734","https://openalex.org/W4287605869","https://openalex.org/W4287828570","https://openalex.org/W4385245566","https://openalex.org/W6600284362","https://openalex.org/W6679434410","https://openalex.org/W6736685754","https://openalex.org/W6739901393","https://openalex.org/W6771809849","https://openalex.org/W6774009640","https://openalex.org/W6785353584"],"related_works":["https://openalex.org/W3027020613","https://openalex.org/W2016533837","https://openalex.org/W3167885074","https://openalex.org/W2892386716","https://openalex.org/W4306164210","https://openalex.org/W1998563493","https://openalex.org/W4313316311","https://openalex.org/W4362608745","https://openalex.org/W4234886518","https://openalex.org/W2383143032"],"abstract_inverted_index":{"Although":[0],"spatial":[1,93,99],"features":[2,17,81,100],"of":[3,15,35,101,120],"molecules":[4],"have":[5],"been":[6],"widely":[7],"used":[8,96],"for":[9,69],"molecular":[10,27,70,130],"property":[11,71],"prediction,":[12],"the":[13,21,33,46,55,86,123],"importance":[14],"interactive":[16,80],"is":[18,51,95],"coming":[19],"to":[20,41,78,97,108],"surface":[22],"these":[23,110],"days.":[24],"By":[25],"using":[26],"voxel-based":[28],"representation,":[29],"each":[30,38],"voxel":[31],"contains":[32],"distribution":[34],"atoms,":[36],"while":[37],"channel":[39,56,76,121],"corresponds":[40],"one":[42],"atomic":[43],"type.":[44],"Thus":[45],"interaction":[47],"between":[48,88],"multiple":[49,89],"atoms":[50],"actually":[52],"contained":[53],"in":[54],"information.":[57],"In":[58],"this":[59],"work,":[60],"we":[61],"propose":[62],"a":[63,75,92,105],"gated":[64,106],"spatial-channel":[65],"transformer":[66,77,94],"(GatedSCT)":[67],"network":[68,117],"prediction.":[72],"We":[73,103],"design":[74],"capture":[79],"from":[82],"channels,":[83],"which":[84],"indicates":[85],"relationship":[87],"atoms.":[90],"Also,":[91],"extract":[98],"molecules.":[102],"apply":[104],"mechanism":[107],"merge":[109],"two":[111],"parts":[112],"efficiently.":[113],"Since":[114],"our":[115],"proposed":[116],"takes":[118],"advantage":[119],"information,":[122],"experiments":[124],"show":[125],"that":[126],"it":[127],"can":[128],"predict":[129],"properties":[131],"more":[132],"accurately":[133],"than":[134],"other":[135],"networks.":[136]},"counts_by_year":[{"year":2024,"cited_by_count":1}],"updated_date":"2026-04-16T08:26:57.006410","created_date":"2025-10-10T00:00:00"}
