{"id":"https://openalex.org/W7204364878","doi":null,"title":"Predictive design of bistable molecular materials through crystallographic descriptors and supervised machine learning","display_name":"Predictive design of bistable molecular materials through crystallographic descriptors and supervised machine learning","publication_year":2026,"publication_date":"2026-11-06","ids":{"openalex":"https://openalex.org/W7204364878"},"language":"en","primary_location":{"id":"pmh:oai:HAL:hal-05724276v1","doi":null,"is_oa":false,"landing_page_url":"https://hal.science/hal-05724276v1","pdf_url":null,"source":{"id":"https://openalex.org/S4306402512","display_name":"HAL","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4405252976","host_organization_name":"Centre pour la Communication Scientifique Directe","host_organization_lineage":["https://openalex.org/I4405252976"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"2026","raw_type":"info:eu-repo/semantics/preprint"},"volume":null,"type":"preprint","is_traditional":true,"indexed_in":[],"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/A5153627259","display_name":"Karl Castro","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210109443","display_name":"Institut de Physique de Rennes","ror":"https://ror.org/022b0h879","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I2800285241","https://openalex.org/I3124938446","https://openalex.org/I4210088668","https://openalex.org/I4210098836","https://openalex.org/I4210107625","https://openalex.org/I4210109443","https://openalex.org/I4210117091","https://openalex.org/I4210148025","https://openalex.org/I4210150854","https://openalex.org/I4387156395","https://openalex.org/I4399657933","https://openalex.org/I56067802"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"Castro, Karl","raw_affiliation_strings":["IPR - Institut de Physique de Rennes (B\u00e2timent 11A , B, C, E \u2013 10B263 av. G\u00e9n\u00e9ral Leclerc35042 Rennes cedex FRANCE - France)"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"IPR - Institut de Physique de Rennes (B\u00e2timent 11A , B, C, E \u2013 10B263 av. G\u00e9n\u00e9ral Leclerc35042 Rennes cedex FRANCE - France)","institution_ids":["https://openalex.org/I4210109443"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5153627259"],"corresponding_institution_ids":["https://openalex.org/I4210109443"],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9961000084877014,"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"}},"topics":[{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9961000084877014,"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/T10798","display_name":"Crystallography and molecular interactions","score":0.0005000000237487257,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.0003000000142492354,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/predictive-design","display_name":"predictive design","score":0.6029999852180481},{"id":"https://openalex.org/keywords/supervised-learning","display_name":"supervised learning","score":0.8149999976158142},{"id":"https://openalex.org/keywords/molecular-crystals","display_name":"molecular crystals","score":0.7200000286102295}],"concepts":[{"id":"https://openalex.org/C144024400","wikidata":"https://www.wikidata.org/wiki/Q21201","display_name":"Sociology","level":0,"score":0.34860000014305115},{"id":"https://openalex.org/C2779110517","wikidata":"https://www.wikidata.org/wiki/Q1240788","display_name":"Supervisor","level":2,"score":0.33550000190734863},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.28209999203681946},{"id":"https://openalex.org/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"score":0.26809999346733093},{"id":"https://openalex.org/C192209626","wikidata":"https://www.wikidata.org/wiki/Q190909","display_name":"Focus (optics)","level":2,"score":0.25999999046325684},{"id":"https://openalex.org/C2777855551","wikidata":"https://www.wikidata.org/wiki/Q12310021","display_name":"Subject (documents)","level":2,"score":0.2542000114917755},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.24240000545978546},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.2378000020980835},{"id":"https://openalex.org/C182306322","wikidata":"https://www.wikidata.org/wiki/Q1779371","display_name":"Order (exchange)","level":2,"score":0.23589999973773956},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.23360000550746918}],"mesh":[],"locations_count":1,"locations":[{"id":"pmh:oai:HAL:hal-05724276v1","doi":null,"is_oa":false,"landing_page_url":"https://hal.science/hal-05724276v1","pdf_url":null,"source":{"id":"https://openalex.org/S4306402512","display_name":"HAL","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4405252976","host_organization_name":"Centre pour la Communication Scientifique Directe","host_organization_lineage":["https://openalex.org/I4405252976"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"2026","raw_type":"info:eu-repo/semantics/preprint"}],"best_oa_location":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/W2559150519","https://openalex.org/W3038823498","https://openalex.org/W4295254536","https://openalex.org/W3210003699","https://openalex.org/W4296974318","https://openalex.org/W3206925305","https://openalex.org/W3094175649","https://openalex.org/W4396800866","https://openalex.org/W2243692469","https://openalex.org/W2734837322"],"abstract_inverted_index":{"supervisor":[0],"Laurent":[1],"Gu\u00e9rin":[2],"(department":[3],"of":[4],"materials":[5],"and":[6,8],"light)":[7],"Jean-Claude":[9],"Crivello":[10],",":[11],"IRL":[12],"LINK,":[13],"Tsukuba,":[14],"Japon":[15]},"counts_by_year":[],"updated_date":"2026-11-08T12:12:28.789561","created_date":"2026-08-27T00:00:00"}