{"id":"https://openalex.org/W2963662739","doi":null,"title":"Learning Multimodal Graph-to-Graph Translation for Molecule Optimization.","display_name":"Learning Multimodal Graph-to-Graph Translation for Molecule Optimization.","publication_year":2018,"publication_date":"2018-09-27","ids":{"openalex":"https://openalex.org/W2963662739","mag":"2963662739"},"language":"en","primary_location":{"id":"mag:2963662739","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/pdf/1812.01070.pdf","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":"arXiv (Cornell University)","raw_type":null},"volume":null,"type":"preprint","is_traditional":true,"indexed_in":[],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://arxiv.org/pdf/1812.01070.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5030957753","display_name":"Wengong Jin","orcid":"https://orcid.org/0000-0002-0555-3056","observed_orcids":["https://orcid.org/0000-0002-0555-3056"]},"institutions":[{"id":"https://openalex.org/I63966007","display_name":"Massachusetts Institute of Technology","ror":"https://ror.org/042nb2s44","country_code":"US","type":"education","lineage":["https://openalex.org/I63966007"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Wengong Jin","raw_affiliation_strings":["Massachusetts Institute of Technology, Cambridge, United States"],"raw_orcid":"https://orcid.org/0000-0002-0555-3056","affiliations":[{"raw_affiliation_string":"Massachusetts Institute of Technology, Cambridge, United States","institution_ids":["https://openalex.org/I63966007"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101814676","display_name":"Kevin Yang","orcid":"https://orcid.org/0000-0001-7221-6642","observed_orcids":["https://orcid.org/0000-0001-7221-6642"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Kevin Yang","raw_affiliation_strings":[],"raw_orcid":"https://orcid.org/0000-0001-7221-6642","affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010124873","display_name":"Regina Barzilay","orcid":"https://orcid.org/0000-0002-2921-8201","observed_orcids":["https://orcid.org/0000-0002-2921-8201"]},"institutions":[{"id":"https://openalex.org/I63966007","display_name":"Massachusetts Institute of Technology","ror":"https://ror.org/042nb2s44","country_code":"US","type":"education","lineage":["https://openalex.org/I63966007"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Regina Barzilay","raw_affiliation_strings":["Massachusetts Institute of Technology, Cambridge, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Massachusetts Institute of Technology, Cambridge, United States","institution_ids":["https://openalex.org/I63966007"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5048915657","display_name":"Tommi Jaakkola","orcid":"https://orcid.org/0000-0002-2199-0379","observed_orcids":["https://orcid.org/0000-0002-2199-0379"]},"institutions":[{"id":"https://openalex.org/I63966007","display_name":"Massachusetts Institute of Technology","ror":"https://ror.org/042nb2s44","country_code":"US","type":"education","lineage":["https://openalex.org/I63966007"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Tommi Jaakkola","raw_affiliation_strings":["Massachusetts Institute of Technology, Cambridge, United States"],"raw_orcid":"https://orcid.org/0000-0002-2199-0379","affiliations":[{"raw_affiliation_string":"Massachusetts Institute of Technology, Cambridge, United States","institution_ids":["https://openalex.org/I63966007"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":51,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9814000129699707,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9814000129699707,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11714","display_name":"Multimodal Machine Learning Applications","score":0.0015999999595806003,"subfield":{"id":"https://openalex.org/subfields/1707","display_name":"Computer Vision and Pattern Recognition"},"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/T11273","display_name":"Advanced Graph Neural Networks","score":0.0013000000035390258,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/multimodal-translation","display_name":"multimodal translation","score":0.7390000224113464},{"id":"https://openalex.org/keywords/molecular-property-prediction","display_name":"molecular property prediction","score":0.4189999997615814}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6524144411087036},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.5432083010673523},{"id":"https://openalex.org/C149364088","wikidata":"https://www.wikidata.org/wiki/Q185917","display_name":"Translation (biology)","level":4,"score":0.45247024297714233},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.44295534491539},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.373684287071228},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.15262848138809204},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C105580179","wikidata":"https://www.wikidata.org/wiki/Q188928","display_name":"Messenger RNA","level":3,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"mag:2963662739","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/pdf/1812.01070.pdf","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":"arXiv (Cornell University)","raw_type":null}],"best_oa_location":{"id":"mag:2963662739","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/pdf/1812.01070.pdf","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":"arXiv (Cornell University)","raw_type":null},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2902415322","https://openalex.org/W2981104283","https://openalex.org/W3202117332","https://openalex.org/W3195199042","https://openalex.org/W3100358278","https://openalex.org/W3211688917","https://openalex.org/W2076192341","https://openalex.org/W7131907328","https://openalex.org/W6992873280","https://openalex.org/W6893434187"],"abstract_inverted_index":null,"counts_by_year":[{"year":2024,"cited_by_count":6},{"year":2023,"cited_by_count":7},{"year":2022,"cited_by_count":7},{"year":2021,"cited_by_count":16},{"year":2020,"cited_by_count":13},{"year":2019,"cited_by_count":2}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2019-07-30T00:00:00"}
