{"id":"https://openalex.org/W3204850147","doi":"https://doi.org/10.1515/9783110629453-080","title":"80 DeepChem: binding affinity","display_name":"80 DeepChem: binding affinity","publication_year":2020,"publication_date":"2020-11-23","ids":{"openalex":"https://openalex.org/W3204850147","doi":"https://doi.org/10.1515/9783110629453-080","mag":"3204850147"},"language":"en","primary_location":{"id":"doi:10.1515/9783110629453-080","doi":"https://doi.org/10.1515/9783110629453-080","is_oa":false,"landing_page_url":"https://doi.org/10.1515/9783110629453-080","pdf_url":null,"source":{"id":"https://openalex.org/S4306463091","display_name":"De Gruyter eBooks","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4310313990","host_organization_name":"De Gruyter","host_organization_lineage":["https://openalex.org/P4310313990"],"host_organization_lineage_names":["De Gruyter"],"type":"ebook platform"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Data Science in Chemistry","raw_type":"book-chapter"},"volume":{"id":"https://openalex.org/W3149956854","display_name":"Data Science in Chemistry"},"type":"book-chapter","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/A5078169403","display_name":"Thorsten Gressling","orcid":"https://orcid.org/0000-0003-3734-538X","observed_orcids":["https://orcid.org/0000-0003-3734-538X"]},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Thorsten Gressling","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":["https://openalex.org/A5078169403"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.31089866,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"389","last_page":"392"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9976000189781189,"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":0.9976000189781189,"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":0.0007999999797903001,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.0003000000142492354,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/deepchem","display_name":"DeepChem","score":0.9660000205039978},{"id":"https://openalex.org/keywords/binding-affinity-prediction","display_name":"binding affinity prediction","score":0.8339999914169312},{"id":"https://openalex.org/keywords/molecular-property-prediction","display_name":"molecular property prediction","score":0.6480000019073486}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3567724823951721}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1515/9783110629453-080","doi":"https://doi.org/10.1515/9783110629453-080","is_oa":false,"landing_page_url":"https://doi.org/10.1515/9783110629453-080","pdf_url":null,"source":{"id":"https://openalex.org/S4306463091","display_name":"De Gruyter eBooks","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4310313990","host_organization_name":"De Gruyter","host_organization_lineage":["https://openalex.org/P4310313990"],"host_organization_lineage_names":["De Gruyter"],"type":"ebook platform"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Data Science in Chemistry","raw_type":"book-chapter"}],"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/W2491047053","https://openalex.org/W4402294476","https://openalex.org/W2495015238","https://openalex.org/W4254329914","https://openalex.org/W4256266276","https://openalex.org/W7204149351","https://openalex.org/W7165656897","https://openalex.org/W7204131332","https://openalex.org/W4242064981","https://openalex.org/W4206933538"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2026-10-10T09:11:00.788812","created_date":"2021-10-11T00:00:00"}
