乐胖代购免代理版

{"id":"https://openalex.org/W2972419643","doi":"https://doi.org/10.1007/978-3-030-30493-5_69","title":"Attention and Edge Memory Convolution for Bioactivity Prediction","display_name":"Attention and Edge Memory Convolution for Bioactivity Prediction","publication_year":2019,"publication_date":"2019-01-01","ids":{"openalex":"https://openalex.org/W2972419643","doi":"https://doi.org/10.1007/978-3-030-30493-5_69","mag":"2972419643"},"language":"en","primary_location":{"is_oa":true,"landing_page_url":"https://doi.org/10.1007/978-3-030-30493-5_69","pdf_url":null,"source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"is_oa":false,"is_in_doaj":false,"is_indexed_in_scopus":true,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319965","https://openalex.org/P4310319900"],"host_organization_lineage_names":["Springer Nature","Springer Science+Business Media"],"type":"book series"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true},"type":"book-chapter","type_crossref":"book-chapter","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1007/978-3-030-30493-5_69","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5046760405","display_name":"Michael Withnall","orcid":"https://orcid.org/0000-0002-9706-8698"},"institutions":[{"id":"https://openalex.org/I4210143795","display_name":"AstraZeneca (Sweden)","ror":"https://ror.org/04wwrrg31","country_code":"SE","type":"company","lineage":["https://openalex.org/I105036370","https://openalex.org/I4210143795"]}],"countries":["SE"],"is_corresponding":true,"raw_author_name":"Michael Withnall","raw_affiliation_strings":["Hit Discovery, Discovery Sciences, IMED Biotech Unit, AstraZeneca, Gothenburg, Sweden"],"affiliations":[{"raw_affiliation_string":"Hit Discovery, Discovery Sciences, IMED Biotech Unit, AstraZeneca, Gothenburg, Sweden","institution_ids":["https://openalex.org/I4210143795"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5048018478","display_name":"Edvard Lindel\u00f6f","orcid":"https://orcid.org/0000-0001-6030-3845"},"institutions":[{"id":"https://openalex.org/I4210143795","display_name":"AstraZeneca (Sweden)","ror":"https://ror.org/04wwrrg31","country_code":"SE","type":"company","lineage":["https://openalex.org/I105036370","https://openalex.org/I4210143795"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Edvard Lindel\u00f6f","raw_affiliation_strings":["Hit Discovery, Discovery Sciences, IMED Biotech Unit, AstraZeneca, Gothenburg, Sweden"],"affiliations":[{"raw_affiliation_string":"Hit Discovery, Discovery Sciences, IMED Biotech Unit, AstraZeneca, Gothenburg, Sweden","institution_ids":["https://openalex.org/I4210143795"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076975589","display_name":"Ola Engkvist","orcid":"https://orcid.org/0000-0003-4970-6461"},"institutions":[{"id":"https://openalex.org/I4210143795","display_name":"AstraZeneca (Sweden)","ror":"https://ror.org/04wwrrg31","country_code":"SE","type":"company","lineage":["https://openalex.org/I105036370","https://openalex.org/I4210143795"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Ola Engkvist","raw_affiliation_strings":["Hit Discovery, Discovery Sciences, IMED Biotech Unit, AstraZeneca, Gothenburg, Sweden"],"affiliations":[{"raw_affiliation_string":"Hit Discovery, Discovery Sciences, IMED Biotech Unit, AstraZeneca, Gothenburg, Sweden","institution_ids":["https://openalex.org/I4210143795"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100729955","display_name":"Hongming Chen","orcid":"https://orcid.org/0000-0002-4470-876X"},"institutions":[{"id":"https://openalex.org/I4210143795","display_name":"AstraZeneca (Sweden)","ror":"https://ror.org/04wwrrg31","country_code":"SE","type":"company","lineage":["https://openalex.org/I105036370","https://openalex.org/I4210143795"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Hongming Chen","raw_affiliation_strings":["Hit Discovery, Discovery Sciences, IMED Biotech Unit, AstraZeneca, Gothenburg, Sweden"],"affiliations":[{"raw_affiliation_string":"Hit Discovery, Discovery Sciences, IMED Biotech Unit, AstraZeneca, Gothenburg, Sweden","institution_ids":["https://openalex.org/I4210143795"]}]}],"institution_assertions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5046760405"],"corresponding_institution_ids":["https://openalex.org/I4210143795"],"apc_list":{"value":5000,"currency":"EUR","value_usd":5392},"apc_paid":{"value":5000,"currency":"EUR","value_usd":5392},"fwci":1.289,"has_fulltext":true,"fulltext_origin":"pdf","cited_by_count":3,"citation_normalized_percentile":{"value":0.663194,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":74,"max":77},"biblio":{"volume":null,"issue":null,"first_page":"752","last_page":"757"},"is_retracted":false,"is_paratext":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9999,"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":0.9999,"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":0.9998,"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":0.9831,"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/benchmarking","display_name":"Benchmarking","score":0.8045619},{"id":"https://openalex.org/keywords/benchmark","display_name":"Benchmark (surveying)","score":0.5897062},{"id":"https://openalex.org/keywords/convolution","display_name":"Convolution (computer science)","score":0.5175294},{"id":"https://openalex.org/keywords/edge-device","display_name":"Edge device","score":0.47701502}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.89939505},{"id":"https://openalex.org/C86251818","wikidata":"https://www.wikidata.org/wiki/Q816754","display_name":"Benchmarking","level":2,"score":0.8045619},{"id":"https://openalex.org/C34736171","wikidata":"https://www.wikidata.org/wiki/Q918333","display_name":"Preprocessor","level":2,"score":0.6771321},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.6470748},{"id":"https://openalex.org/C185798385","wikidata":"https://www.wikidata.org/wiki/Q1161707","display_name":"Benchmark (surveying)","level":2,"score":0.5897062},{"id":"https://openalex.org/C45347329","wikidata":"https://www.wikidata.org/wiki/Q5166604","display_name":"Convolution (computer science)","level":3,"score":0.5175294},{"id":"https://openalex.org/C162307627","wikidata":"https://www.wikidata.org/wiki/Q204833","display_name":"Enhanced Data Rates for GSM Evolution","level":2,"score":0.49622852},{"id":"https://openalex.org/C138236772","wikidata":"https://www.wikidata.org/wiki/Q25098575","display_name":"Edge device","level":3,"score":0.47701502},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.45739493},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.44219095},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.40516004},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.34038025},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.33388618},{"id":"https://openalex.org/C79974875","wikidata":"https://www.wikidata.org/wiki/Q483639","display_name":"Cloud computing","level":2,"score":0.0},{"id":"https://openalex.org/C13280743","wikidata":"https://www.wikidata.org/wiki/Q131089","display_name":"Geodesy","level":1,"score":0.0},{"id":"https://openalex.org/C162853370","wikidata":"https://www.wikidata.org/wiki/Q39809","display_name":"Marketing","level":1,"score":0.0},{"id":"https://openalex.org/C144133560","wikidata":"https://www.wikidata.org/wiki/Q4830453","display_name":"Business","level":0,"score":0.0},{"id":"https://openalex.org/C205649164","wikidata":"https://www.wikidata.org/wiki/Q1071","display_name":"Geography","level":0,"score":0.0},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"is_oa":true,"landing_page_url":"https://doi.org/10.1007/978-3-030-30493-5_69","pdf_url":null,"source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"is_oa":false,"is_in_doaj":false,"is_indexed_in_scopus":true,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319965","https://openalex.org/P4310319900"],"host_organization_lineage_names":["Springer Nature","Springer Science+Business Media"],"type":"book series"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true},{"is_oa":true,"landing_page_url":"https://zenodo.org/record/3515059","pdf_url":"https://zenodo.org/records/3515059/files/Withnall2019_Chapter_AttentionAndEdgeMemoryConvolut.pdf","source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_indexed_in_scopus":false,"is_core":false,"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":["European Organization for Nuclear Research"],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true}],"best_oa_location":{"is_oa":true,"landing_page_url":"https://doi.org/10.1007/978-3-030-30493-5_69","pdf_url":null,"source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"is_oa":false,"is_in_doaj":false,"is_indexed_in_scopus":true,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319965","https://openalex.org/P4310319900"],"host_organization_lineage_names":["Springer Nature","Springer Science+Business Media"],"type":"book series"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true},"sustainable_development_goals":[],"grants":[],"datasets":[],"versions":[],"referenced_works_count":15,"referenced_works":["https://openalex.org/W1501856433","https://openalex.org/W1662382123","https://openalex.org/W2005219245","https://openalex.org/W2090012148","https://openalex.org/W2244807774","https://openalex.org/W2290847742","https://openalex.org/W2519887557","https://openalex.org/W2527189750","https://openalex.org/W2594183968","https://openalex.org/W2790808809","https://openalex.org/W2952254971","https://openalex.org/W2952519754","https://openalex.org/W2964113829","https://openalex.org/W2964321699","https://openalex.org/W3100157108"],"related_works":["https://openalex.org/W4399363378","https://openalex.org/W435179959","https://openalex.org/W4238897586","https://openalex.org/W2619091065","https://openalex.org/W2291782699","https://openalex.org/W2284465472","https://openalex.org/W2059640416","https://openalex.org/W2000169967","https://openalex.org/W1993948687","https://openalex.org/W1490753184"],"abstract_inverted_index":{"Abstract":[0],"We":[1,27,69],"present":[2],"some":[3],"augmentations":[4],"to":[5,73],"literature":[6],"Message":[7],"Passing":[8],"Neural":[9],"Network":[10],"(MPNN)":[11],"architectures":[12],"and":[13,23,43,62,83],"benchmark":[14],"their":[15],"performances":[16],"against":[17],"a":[18,38,46,92],"wide":[19],"range":[20],"of":[21,31,56,88,94],"chemically":[22],"pharmaceutically":[24],"relevant":[25],"datasets.":[26],"analyse":[28],"the":[29,54,67,74,86],"effects":[30],"activation":[32],"function":[33,93],"for":[34],"regularisation,":[35],"we":[36,44],"propose":[37],"new":[39,47],"graph":[40],"attention":[41],"mechanism,":[42],"implement":[45],"edge-based":[48],"memory":[49],"system":[50],"that":[51],"should":[52],"maximise":[53],"effectiveness":[55],"hidden":[57],"state":[58],"usage":[59],"by":[60],"directing":[61],"isolating":[63],"information":[64],"flow":[65],"around":[66],"graph.":[68],"compare":[70],"our":[71],"results":[72,79],"MolNet":[75],"[14]":[76],"benchmarking":[77],"paper":[78],"on":[80],"graph-based":[81],"techniques,":[82],"also":[84],"investigate":[85],"effect":[87],"method":[89],"performance":[90],"as":[91],"dataset":[95],"preprocessing.":[96]},"abstract_inverted_index_v3":null,"cited_by_api_url":"https://api.openalex.org/works?filter=cites:W2972419643","counts_by_year":[{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1}],"updated_date":"2025-02-16T12:30:55.124382","created_date":"2019-09-19"}