{"id":"https://openalex.org/W7171536909","doi":"https://doi.org/10.1145/3807503.3819986","title":"When Does Conformer Geometry Help? Selective Complementarity of 3D Ensemble Statistics and 2D Fingerprints","display_name":"When Does Conformer Geometry Help? Selective Complementarity of 3D Ensemble Statistics and 2D Fingerprints","publication_year":2026,"publication_date":"2026-06-30","ids":{"openalex":"https://openalex.org/W7171536909","doi":"https://doi.org/10.1145/3807503.3819986"},"language":null,"primary_location":{"id":"doi:10.1145/3807503.3819986","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3807503.3819986","pdf_url":null,"source":null,"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 17th ACM International Conference on Bioinformatics, Computational Biology and Health Informatics","raw_type":"proceedings-article"},"type":"conference-paper","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.1145/3807503.3819986","any_repository_has_fulltext":null},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5143767073","display_name":"Bryan Cheng","orcid":"https://orcid.org/0009-0009-1187-9077"},"institutions":[{"id":"https://openalex.org/I4210138797","display_name":"Great North Children's Hospital","ror":"https://ror.org/0483p1w82","country_code":"GB","type":"healthcare","lineage":["https://openalex.org/I2801663869","https://openalex.org/I4210138797"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Bryan Cheng","raw_affiliation_strings":["Self, Great Neck, New York, USA"],"raw_orcid":"https://orcid.org/0009-0009-1187-9077","affiliations":[{"raw_affiliation_string":"Self, Great Neck, New York, USA","institution_ids":["https://openalex.org/I4210138797"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5143802678","display_name":"Austin Hanchi Jin","orcid":"https://orcid.org/0009-0001-9374-1064"},"institutions":[{"id":"https://openalex.org/I4210138797","display_name":"Great North Children's Hospital","ror":"https://ror.org/0483p1w82","country_code":"GB","type":"healthcare","lineage":["https://openalex.org/I2801663869","https://openalex.org/I4210138797"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Austin Hanchi Jin","raw_affiliation_strings":["Self, Great Neck, New York, USA"],"raw_orcid":"https://orcid.org/0009-0001-9374-1064","affiliations":[{"raw_affiliation_string":"Self, Great Neck, New York, USA","institution_ids":["https://openalex.org/I4210138797"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5143864860","display_name":"Jasper Zhang","orcid":"https://orcid.org/0009-0003-8806-2221"},"institutions":[{"id":"https://openalex.org/I4210138797","display_name":"Great North Children's Hospital","ror":"https://ror.org/0483p1w82","country_code":"GB","type":"healthcare","lineage":["https://openalex.org/I2801663869","https://openalex.org/I4210138797"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Jasper Zhang","raw_affiliation_strings":["Self, Great Neck, New York, USA"],"raw_orcid":"https://orcid.org/0009-0003-8806-2221","affiliations":[{"raw_affiliation_string":"Self, Great Neck, New York, USA","institution_ids":["https://openalex.org/I4210138797"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I4210138797"],"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":"1","last_page":"9"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":null,"topics":[],"keywords":[{"id":"https://openalex.org/keywords/complementarity","display_name":"Complementarity (molecular biology)","score":0.625},{"id":"https://openalex.org/keywords/statistical-ensemble","display_name":"Statistical ensemble","score":0.42419999837875366},{"id":"https://openalex.org/keywords/complementarity-theory","display_name":"Complementarity theory","score":0.2809000015258789},{"id":"https://openalex.org/keywords/pattern-recognition","display_name":"Pattern recognition (psychology)","score":0.2533999979496002}],"concepts":[{"id":"https://openalex.org/C202269582","wikidata":"https://www.wikidata.org/wiki/Q2644277","display_name":"Complementarity (molecular biology)","level":2,"score":0.625},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.48539999127388},{"id":"https://openalex.org/C50311922","wikidata":"https://www.wikidata.org/wiki/Q898535","display_name":"Statistical ensemble","level":4,"score":0.42419999837875366},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.42289999127388},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.3619999885559082},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.3312999904155731},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.29899999499320984},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2849999964237213},{"id":"https://openalex.org/C85404239","wikidata":"https://www.wikidata.org/wiki/Q5156417","display_name":"Complementarity theory","level":3,"score":0.2809000015258789},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.26980000734329224},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.2533999979496002}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1145/3807503.3819986","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3807503.3819986","pdf_url":null,"source":null,"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 17th ACM International Conference on Bioinformatics, Computational Biology and Health Informatics","raw_type":"proceedings-article"}],"best_oa_location":{"id":"doi:10.1145/3807503.3819986","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3807503.3819986","pdf_url":null,"source":null,"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 17th ACM International Conference on Bioinformatics, Computational Biology and Health Informatics","raw_type":"proceedings-article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":23,"referenced_works":["https://openalex.org/W1988037271","https://openalex.org/W2008505552","https://openalex.org/W2013894207","https://openalex.org/W2057350662","https://openalex.org/W2060531713","https://openalex.org/W2062125287","https://openalex.org/W2062989416","https://openalex.org/W2076498053","https://openalex.org/W2078374001","https://openalex.org/W2080635178","https://openalex.org/W2104489082","https://openalex.org/W2244785476","https://openalex.org/W2253581743","https://openalex.org/W2295598076","https://openalex.org/W2594183968","https://openalex.org/W2726184500","https://openalex.org/W2966357564","https://openalex.org/W3006234984","https://openalex.org/W3116202926","https://openalex.org/W4226128774","https://openalex.org/W4248107770","https://openalex.org/W4323304388","https://openalex.org/W4390221451"],"related_works":[],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2026-07-29T09:40:50.615796","created_date":"2026-07-29T00:00:00"}