{"id":"https://openalex.org/W2999242200","doi":"https://doi.org/10.1021/acs.jcim.9b00943","title":"Bidirectional Molecule Generation with Recurrent Neural Networks","display_name":"Bidirectional Molecule Generation with Recurrent Neural Networks","publication_year":2020,"publication_date":"2020-01-06","ids":{"openalex":"https://openalex.org/W2999242200","doi":"https://doi.org/10.1021/acs.jcim.9b00943","mag":"2999242200"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.9b00943","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.9b00943","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"publisher-specific-oa","license_id":"https://openalex.org/licenses/publisher-specific-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"http://hdl.handle.net/20.500.11850/407113","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5078946433","display_name":"Francesca Grisoni","orcid":"https://orcid.org/0000-0001-8552-6615"},"institutions":[{"id":"https://openalex.org/I35440088","display_name":"ETH Zurich","ror":"https://ror.org/05a28rw58","country_code":"CH","type":"education","lineage":["https://openalex.org/I2799323385","https://openalex.org/I35440088"]}],"countries":["CH"],"is_corresponding":true,"raw_author_name":"Francesca Grisoni","raw_affiliation_strings":["Department of Chemistry and Applied Biosciences, RETHINK, ETH Zurich, Vladimir-Prelog-Weg 4, 8093 Zurich, Switzerland"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Applied Biosciences, RETHINK, ETH Zurich, Vladimir-Prelog-Weg 4, 8093 Zurich, Switzerland","institution_ids":["https://openalex.org/I35440088"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026925271","display_name":"Micha\u00ebl Moret","orcid":"https://orcid.org/0000-0002-8672-3386"},"institutions":[{"id":"https://openalex.org/I35440088","display_name":"ETH Zurich","ror":"https://ror.org/05a28rw58","country_code":"CH","type":"education","lineage":["https://openalex.org/I2799323385","https://openalex.org/I35440088"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Michael Moret","raw_affiliation_strings":["Department of Chemistry and Applied Biosciences, RETHINK, ETH Zurich, Vladimir-Prelog-Weg 4, 8093 Zurich, Switzerland"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Applied Biosciences, RETHINK, ETH Zurich, Vladimir-Prelog-Weg 4, 8093 Zurich, Switzerland","institution_ids":["https://openalex.org/I35440088"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059416989","display_name":"Robin Lingwood","orcid":null},"institutions":[{"id":"https://openalex.org/I35440088","display_name":"ETH Zurich","ror":"https://ror.org/05a28rw58","country_code":"CH","type":"education","lineage":["https://openalex.org/I2799323385","https://openalex.org/I35440088"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Robin Lingwood","raw_affiliation_strings":["Department of Chemistry and Applied Biosciences, RETHINK, ETH Zurich, Vladimir-Prelog-Weg 4, 8093 Zurich, Switzerland"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Applied Biosciences, RETHINK, ETH Zurich, Vladimir-Prelog-Weg 4, 8093 Zurich, Switzerland","institution_ids":["https://openalex.org/I35440088"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5028135456","display_name":"Gisbert Schneider","orcid":"https://orcid.org/0000-0001-6706-1084"},"institutions":[{"id":"https://openalex.org/I35440088","display_name":"ETH Zurich","ror":"https://ror.org/05a28rw58","country_code":"CH","type":"education","lineage":["https://openalex.org/I2799323385","https://openalex.org/I35440088"]}],"countries":["CH"],"is_corresponding":true,"raw_author_name":"Gisbert Schneider","raw_affiliation_strings":["Department of Chemistry and Applied Biosciences, RETHINK, ETH Zurich, Vladimir-Prelog-Weg 4, 8093 Zurich, Switzerland"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Applied Biosciences, RETHINK, ETH Zurich, Vladimir-Prelog-Weg 4, 8093 Zurich, Switzerland","institution_ids":["https://openalex.org/I35440088"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5028135456","https://openalex.org/A5078946433"],"corresponding_institution_ids":["https://openalex.org/I35440088"],"apc_list":null,"apc_paid":null,"fwci":17.6288,"has_fulltext":false,"cited_by_count":239,"citation_normalized_percentile":{"value":0.99341755,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"60","issue":"3","first_page":"1175","last_page":"1183"},"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":0.9997000098228455,"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/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9959999918937683,"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/recurrent-neural-network","display_name":"Recurrent neural network","score":0.7730035781860352},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7439817190170288},{"id":"https://openalex.org/keywords/string","display_name":"String (physics)","score":0.6693874001502991},{"id":"https://openalex.org/keywords/novelty","display_name":"Novelty","score":0.6671218276023865},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.46698468923568726},{"id":"https://openalex.org/keywords/generative-model","display_name":"Generative model","score":0.43755286931991577},{"id":"https://openalex.org/keywords/generative-grammar","display_name":"Generative grammar","score":0.42789414525032043},{"id":"https://openalex.org/keywords/relevance","display_name":"Relevance (law)","score":0.42045459151268005},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.34859275817871094},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.11763781309127808}],"concepts":[{"id":"https://openalex.org/C147168706","wikidata":"https://www.wikidata.org/wiki/Q1457734","display_name":"Recurrent neural network","level":3,"score":0.7730035781860352},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7439817190170288},{"id":"https://openalex.org/C157486923","wikidata":"https://www.wikidata.org/wiki/Q1376436","display_name":"String (physics)","level":2,"score":0.6693874001502991},{"id":"https://openalex.org/C2778738651","wikidata":"https://www.wikidata.org/wiki/Q16546687","display_name":"Novelty","level":2,"score":0.6671218276023865},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.46698468923568726},{"id":"https://openalex.org/C167966045","wikidata":"https://www.wikidata.org/wiki/Q5532625","display_name":"Generative model","level":3,"score":0.43755286931991577},{"id":"https://openalex.org/C39890363","wikidata":"https://www.wikidata.org/wiki/Q36108","display_name":"Generative grammar","level":2,"score":0.42789414525032043},{"id":"https://openalex.org/C158154518","wikidata":"https://www.wikidata.org/wiki/Q7310970","display_name":"Relevance (law)","level":2,"score":0.42045459151268005},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.34859275817871094},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.11763781309127808},{"id":"https://openalex.org/C27206212","wikidata":"https://www.wikidata.org/wiki/Q34178","display_name":"Theology","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/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C199539241","wikidata":"https://www.wikidata.org/wiki/Q7748","display_name":"Law","level":1,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.9b00943","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.9b00943","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"publisher-specific-oa","license_id":"https://openalex.org/licenses/publisher-specific-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmh:oai:www.research-collection.ethz.ch:20.500.11850/407113","is_oa":true,"landing_page_url":"http://hdl.handle.net/20.500.11850/407113","pdf_url":null,"source":{"id":"https://openalex.org/S4306402302","display_name":"Repository for Publications and Research Data (ETH Zurich)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I35440088","host_organization_name":"ETH Zurich","host_organization_lineage":["https://openalex.org/I35440088"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling, 60 (3)","raw_type":"info:eu-repo/semantics/publishedVersion"},{"id":"doi:10.3929/ethz-b-000407113","is_oa":true,"landing_page_url":"https://doi.org/10.3929/ethz-b-000407113","pdf_url":null,"source":{"id":"https://openalex.org/S7407051236","display_name":"ETH Z\u00fcrich Research Collection","issn_l":null,"issn":[],"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":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"article-journal"}],"best_oa_location":{"id":"pmh:oai:www.research-collection.ethz.ch:20.500.11850/407113","is_oa":true,"landing_page_url":"http://hdl.handle.net/20.500.11850/407113","pdf_url":null,"source":{"id":"https://openalex.org/S4306402302","display_name":"Repository for Publications and Research Data (ETH Zurich)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I35440088","host_organization_name":"ETH Zurich","host_organization_lineage":["https://openalex.org/I35440088"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling, 60 (3)","raw_type":"info:eu-repo/semantics/publishedVersion"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1026655255","display_name":null,"funder_award_id":"05321_182176","funder_id":"https://openalex.org/F4320320924","funder_display_name":"Schweizerischer Nationalfonds zur F\u00f6rderung der Wissenschaftlichen Forschung"},{"id":"https://openalex.org/G1689676821","display_name":null,"funder_award_id":"Novartis Forschungsstiftung","funder_id":"https://openalex.org/F4320320924","funder_display_name":"Schweizerischer Nationalfonds zur F\u00f6rderung der Wissenschaftlichen Forschung"},{"id":"https://openalex.org/G2401952509","display_name":"De novo molecular design by deep learning","funder_award_id":"182176","funder_id":"https://openalex.org/F4320320924","funder_display_name":"Schweizerischer Nationalfonds zur F\u00f6rderung der Wissenschaftlichen Forschung"},{"id":"https://openalex.org/G3608669926","display_name":null,"funder_award_id":"205321_182176","funder_id":"https://openalex.org/F4320320924","funder_display_name":"Schweizerischer Nationalfonds zur F\u00f6rderung der Wissenschaftlichen Forschung"},{"id":"https://openalex.org/G4083164270","display_name":null,"funder_award_id":"20532","funder_id":"https://openalex.org/F4320320924","funder_display_name":"Schweizerischer Nationalfonds zur F\u00f6rderung der Wissenschaftlichen Forschung"},{"id":"https://openalex.org/G7666092790","display_name":null,"funder_award_id":"205321","funder_id":"https://openalex.org/F4320320924","funder_display_name":"Schweizerischer Nationalfonds zur F\u00f6rderung der Wissenschaftlichen Forschung"},{"id":"https://openalex.org/G848032724","display_name":null,"funder_award_id":"Science","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320320924","display_name":"Schweizerischer Nationalfonds zur F\u00f6rderung der Wissenschaftlichen Forschung","ror":"https://ror.org/00yjd3n13"},{"id":"https://openalex.org/F4320321652","display_name":"Eidgen\u00f6ssische Technische Hochschule Z\u00fcrich","ror":"https://ror.org/05a28rw58"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":58,"referenced_works":["https://openalex.org/W1522301498","https://openalex.org/W1924770834","https://openalex.org/W1971129545","https://openalex.org/W1975147762","https://openalex.org/W2000484421","https://openalex.org/W2005708641","https://openalex.org/W2009315806","https://openalex.org/W2018518196","https://openalex.org/W2020843065","https://openalex.org/W2021209678","https://openalex.org/W2035753075","https://openalex.org/W2052933929","https://openalex.org/W2060531713","https://openalex.org/W2061365508","https://openalex.org/W2064675550","https://openalex.org/W2069143585","https://openalex.org/W2111494971","https://openalex.org/W2126823383","https://openalex.org/W2128084896","https://openalex.org/W2131774270","https://openalex.org/W2184587602","https://openalex.org/W2206840988","https://openalex.org/W2267384021","https://openalex.org/W2339652278","https://openalex.org/W2340329281","https://openalex.org/W2405035126","https://openalex.org/W2481916066","https://openalex.org/W2529996553","https://openalex.org/W2578240541","https://openalex.org/W2594328795","https://openalex.org/W2604296437","https://openalex.org/W2613663164","https://openalex.org/W2618625858","https://openalex.org/W2765224015","https://openalex.org/W2766736793","https://openalex.org/W2771577156","https://openalex.org/W2784270883","https://openalex.org/W2798613236","https://openalex.org/W2802224083","https://openalex.org/W2805002767","https://openalex.org/W2887447356","https://openalex.org/W2891868449","https://openalex.org/W2897337442","https://openalex.org/W2900694120","https://openalex.org/W2915175970","https://openalex.org/W2916688788","https://openalex.org/W2949243165","https://openalex.org/W2951765074","https://openalex.org/W2952181316","https://openalex.org/W2953128081","https://openalex.org/W2955727640","https://openalex.org/W2962764460","https://openalex.org/W2989615256","https://openalex.org/W2997784419","https://openalex.org/W3038022805","https://openalex.org/W3098269892","https://openalex.org/W3106536628","https://openalex.org/W4247233737"],"related_works":["https://openalex.org/W4365211920","https://openalex.org/W3014948380","https://openalex.org/W4380551139","https://openalex.org/W4317695495","https://openalex.org/W4395044357","https://openalex.org/W4287117424","https://openalex.org/W4387506531","https://openalex.org/W2087346071","https://openalex.org/W2967848559","https://openalex.org/W4299831724"],"abstract_inverted_index":{"ISSN:1549-9596":[0]},"counts_by_year":[{"year":2026,"cited_by_count":8},{"year":2025,"cited_by_count":49},{"year":2024,"cited_by_count":60},{"year":2023,"cited_by_count":47},{"year":2022,"cited_by_count":30},{"year":2021,"cited_by_count":30},{"year":2020,"cited_by_count":15}],"updated_date":"2026-04-10T15:06:20.359241","created_date":"2020-01-23T00:00:00"}
