{"id":"https://openalex.org/W7128297209","doi":"https://doi.org/10.1007/978-3-032-15993-9_14","title":"CRRF-Score - Cumulative Ranking Random Forest Scoring Function for\u00a0Free Energy of\u00a0Binding Prediction in\u00a0Protein-Ligand Docking","display_name":"CRRF-Score - Cumulative Ranking Random Forest Scoring Function for\u00a0Free Energy of\u00a0Binding Prediction in\u00a0Protein-Ligand Docking","publication_year":2026,"publication_date":"2026-01-01","ids":{"openalex":"https://openalex.org/W7128297209","doi":"https://doi.org/10.1007/978-3-032-15993-9_14"},"language":"en","primary_location":{"id":"doi:10.1007/978-3-032-15993-9_14","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-032-15993-9_14","pdf_url":null,"source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Lecture Notes in Computer Science","raw_type":"book-chapter"},"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/A5068664163","display_name":"Adriano Velasque Werhli","orcid":"https://orcid.org/0000-0001-7107-5024"},"institutions":[{"id":"https://openalex.org/I126460647","display_name":"Universidade Federal do Rio Grande","ror":"https://ror.org/05hpfkn88","country_code":"BR","type":"education","lineage":["https://openalex.org/I126460647"]}],"countries":["BR"],"is_corresponding":true,"raw_author_name":"Adriano Velasque Werhli","raw_affiliation_strings":["Centro de Ci\u00eancias Computacionais, Universidade Federal do Rio Grande, Rio Grande, RS, Brazil"],"raw_orcid":"https://orcid.org/0000-0001-7107-5024","affiliations":[{"raw_affiliation_string":"Centro de Ci\u00eancias Computacionais, Universidade Federal do Rio Grande, Rio Grande, RS, Brazil","institution_ids":["https://openalex.org/I126460647"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5125340722","display_name":"Patr\u00edcia Padula Lopes","orcid":null},"institutions":[{"id":"https://openalex.org/I126460647","display_name":"Universidade Federal do Rio Grande","ror":"https://ror.org/05hpfkn88","country_code":"BR","type":"education","lineage":["https://openalex.org/I126460647"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Patr\u00edcia Padula Lopes","raw_affiliation_strings":["Centro de Ci\u00eancias Computacionais, Universidade Federal do Rio Grande, Rio Grande, RS, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centro de Ci\u00eancias Computacionais, Universidade Federal do Rio Grande, Rio Grande, RS, Brazil","institution_ids":["https://openalex.org/I126460647"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5125332554","display_name":"Oscar E. Arrua","orcid":null},"institutions":[{"id":"https://openalex.org/I126460647","display_name":"Universidade Federal do Rio Grande","ror":"https://ror.org/05hpfkn88","country_code":"BR","type":"education","lineage":["https://openalex.org/I126460647"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Oscar E. Arrua","raw_affiliation_strings":["Centro de Ci\u00eancias Computacionais, Universidade Federal do Rio Grande, Rio Grande, RS, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centro de Ci\u00eancias Computacionais, Universidade Federal do Rio Grande, Rio Grande, RS, Brazil","institution_ids":["https://openalex.org/I126460647"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074697189","display_name":"Andrej Aderhold","orcid":"https://orcid.org/0000-0003-0197-5339"},"institutions":[{"id":"https://openalex.org/I126460647","display_name":"Universidade Federal do Rio Grande","ror":"https://ror.org/05hpfkn88","country_code":"BR","type":"education","lineage":["https://openalex.org/I126460647"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Andrej Aderhold","raw_affiliation_strings":["Centro de Ci\u00eancias Computacionais, Universidade Federal do Rio Grande, Rio Grande, RS, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centro de Ci\u00eancias Computacionais, Universidade Federal do Rio Grande, Rio Grande, RS, Brazil","institution_ids":["https://openalex.org/I126460647"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5086333993","display_name":"Karina Machado","orcid":"https://orcid.org/0000-0002-8966-5708"},"institutions":[{"id":"https://openalex.org/I126460647","display_name":"Universidade Federal do Rio Grande","ror":"https://ror.org/05hpfkn88","country_code":"BR","type":"education","lineage":["https://openalex.org/I126460647"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Karina dos Santos Machado","raw_affiliation_strings":["Centro de Ci\u00eancias Computacionais, Universidade Federal do Rio Grande, Rio Grande, RS, Brazil"],"raw_orcid":"https://orcid.org/0000-0002-8966-5708","affiliations":[{"raw_affiliation_string":"Centro de Ci\u00eancias Computacionais, Universidade Federal do Rio Grande, Rio Grande, RS, Brazil","institution_ids":["https://openalex.org/I126460647"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5068664163"],"corresponding_institution_ids":["https://openalex.org/I126460647"],"apc_list":{"value":5000,"currency":"EUR","value_usd":5392},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.44750958,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"199","last_page":"213"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9254999756813049,"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":0.9254999756813049,"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/T12576","display_name":"vaccines and immunoinformatics approaches","score":0.021299999207258224,"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"}},{"id":"https://openalex.org/T12254","display_name":"Machine Learning in Bioinformatics","score":0.008999999612569809,"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/random-forest","display_name":"Random forest","score":0.8356000185012817},{"id":"https://openalex.org/keywords/ranking","display_name":"Ranking (information retrieval)","score":0.6245999932289124},{"id":"https://openalex.org/keywords/feature-selection","display_name":"Feature selection","score":0.5709999799728394},{"id":"https://openalex.org/keywords/autodock","display_name":"AutoDock","score":0.5236999988555908},{"id":"https://openalex.org/keywords/principal-component-analysis","display_name":"Principal component analysis","score":0.43369999527931213},{"id":"https://openalex.org/keywords/ensemble-learning","display_name":"Ensemble learning","score":0.3792000114917755},{"id":"https://openalex.org/keywords/learning-to-rank","display_name":"Learning to rank","score":0.3312000036239624}],"concepts":[{"id":"https://openalex.org/C169258074","wikidata":"https://www.wikidata.org/wiki/Q245748","display_name":"Random forest","level":2,"score":0.8356000185012817},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7419000267982483},{"id":"https://openalex.org/C189430467","wikidata":"https://www.wikidata.org/wiki/Q7293293","display_name":"Ranking (information retrieval)","level":2,"score":0.6245999932289124},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.6050000190734863},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.6039999723434448},{"id":"https://openalex.org/C148483581","wikidata":"https://www.wikidata.org/wiki/Q446488","display_name":"Feature selection","level":2,"score":0.5709999799728394},{"id":"https://openalex.org/C2780152424","wikidata":"https://www.wikidata.org/wiki/Q4826062","display_name":"AutoDock","level":4,"score":0.5236999988555908},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.4611999988555908},{"id":"https://openalex.org/C27438332","wikidata":"https://www.wikidata.org/wiki/Q2873","display_name":"Principal component analysis","level":2,"score":0.43369999527931213},{"id":"https://openalex.org/C45942800","wikidata":"https://www.wikidata.org/wiki/Q245652","display_name":"Ensemble learning","level":2,"score":0.3792000114917755},{"id":"https://openalex.org/C86037889","wikidata":"https://www.wikidata.org/wiki/Q4330127","display_name":"Learning to rank","level":3,"score":0.3312000036239624},{"id":"https://openalex.org/C2776401178","wikidata":"https://www.wikidata.org/wiki/Q12050496","display_name":"Feature (linguistics)","level":2,"score":0.31220000982284546},{"id":"https://openalex.org/C26517878","wikidata":"https://www.wikidata.org/wiki/Q228039","display_name":"Key (lock)","level":2,"score":0.3050999939441681},{"id":"https://openalex.org/C81917197","wikidata":"https://www.wikidata.org/wiki/Q628760","display_name":"Selection (genetic algorithm)","level":2,"score":0.28139999508857727},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.27379998564720154},{"id":"https://openalex.org/C79581498","wikidata":"https://www.wikidata.org/wiki/Q1367530","display_name":"Suite","level":2,"score":0.2554999887943268},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.25519999861717224},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.25040000677108765}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/978-3-032-15993-9_14","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-032-15993-9_14","pdf_url":null,"source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Lecture Notes in Computer Science","raw_type":"book-chapter"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":27,"referenced_works":["https://openalex.org/W175958581","https://openalex.org/W1985953075","https://openalex.org/W2004102775","https://openalex.org/W2013085020","https://openalex.org/W2030286884","https://openalex.org/W2134967712","https://openalex.org/W2140514146","https://openalex.org/W2148512505","https://openalex.org/W2152630148","https://openalex.org/W2156140776","https://openalex.org/W2550887636","https://openalex.org/W2608559058","https://openalex.org/W2765494761","https://openalex.org/W2794875394","https://openalex.org/W2844503360","https://openalex.org/W2902812092","https://openalex.org/W2912934387","https://openalex.org/W2921473648","https://openalex.org/W2955986556","https://openalex.org/W3020257619","https://openalex.org/W3028815767","https://openalex.org/W4206677002","https://openalex.org/W4386350986","https://openalex.org/W4387673203","https://openalex.org/W4393935425","https://openalex.org/W4403211351","https://openalex.org/W4406699368"],"related_works":[],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2026-02-09T05:59:30.833894","created_date":"2026-02-08T00:00:00"}
