{"id":"https://openalex.org/W7139120159","doi":"https://doi.org/10.1016/j.compbiomed.2026.111630","title":"A decoction-inspired genetic algorithm and PPO reinforcement learning for intelligent molecular discovery: Anti-colorectal cancer candidates from the tiao-pi AnChang formula","display_name":"A decoction-inspired genetic algorithm and PPO reinforcement learning for intelligent molecular discovery: Anti-colorectal cancer candidates from the tiao-pi AnChang formula","publication_year":2026,"publication_date":"2026-03-20","ids":{"openalex":"https://openalex.org/W7139120159","doi":"https://doi.org/10.1016/j.compbiomed.2026.111630","pmid":"https://pubmed.ncbi.nlm.nih.gov/41864092"},"language":"en","primary_location":{"id":"doi:10.1016/j.compbiomed.2026.111630","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.compbiomed.2026.111630","pdf_url":null,"source":{"id":"https://openalex.org/S44278595","display_name":"Computers in Biology and Medicine","issn_l":"0010-4825","issn":["0010-4825","1879-0534"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers in Biology and Medicine","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"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/A5104245108","display_name":"Can Bai","orcid":null},"institutions":[{"id":"https://openalex.org/I253932293","display_name":"Anhui University of Traditional Chinese Medicine","ror":"https://ror.org/0139j4p80","country_code":"CN","type":"education","lineage":["https://openalex.org/I253932293"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Can Bai","raw_affiliation_strings":["School of Acupuncture and Tuina College, Anhui University of Chinese Medicine, Longzihu Road 350, Hefei, 230012, Anhui, China"],"affiliations":[{"raw_affiliation_string":"School of Acupuncture and Tuina College, Anhui University of Chinese Medicine, Longzihu Road 350, Hefei, 230012, Anhui, China","institution_ids":["https://openalex.org/I253932293"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100632711","display_name":"Zijian Wu","orcid":null},"institutions":[{"id":"https://openalex.org/I253932293","display_name":"Anhui University of Traditional Chinese Medicine","ror":"https://ror.org/0139j4p80","country_code":"CN","type":"education","lineage":["https://openalex.org/I253932293"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zijian Wu","raw_affiliation_strings":["School of Acupuncture and Tuina College, Anhui University of Chinese Medicine, Longzihu Road 350, Hefei, 230012, Anhui, China"],"affiliations":[{"raw_affiliation_string":"School of Acupuncture and Tuina College, Anhui University of Chinese Medicine, Longzihu Road 350, Hefei, 230012, Anhui, China","institution_ids":["https://openalex.org/I253932293"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024731564","display_name":"Xianjun Han","orcid":"https://orcid.org/0000-0001-7674-1428"},"institutions":[{"id":"https://openalex.org/I118987531","display_name":"Anhui Jianzhu University","ror":"https://ror.org/0108wjw08","country_code":"CN","type":"education","lineage":["https://openalex.org/I118987531"]},{"id":"https://openalex.org/I143868143","display_name":"Anhui University","ror":"https://ror.org/05th6yx34","country_code":"CN","type":"education","lineage":["https://openalex.org/I143868143"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Xianjun Han","raw_affiliation_strings":["School of Computer Science and Technology, Anhui University, jiulong Road 111, Hefei, 230601, Anhui, China. Electronic address: hxj@ahu.edu.cn"],"affiliations":[{"raw_affiliation_string":"School of Computer Science and Technology, Anhui University, jiulong Road 111, Hefei, 230601, Anhui, China. Electronic address: hxj@ahu.edu.cn","institution_ids":["https://openalex.org/I143868143","https://openalex.org/I118987531"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5129884616","display_name":"Sheng Zhou","orcid":null},"institutions":[{"id":"https://openalex.org/I253932293","display_name":"Anhui University of Traditional Chinese Medicine","ror":"https://ror.org/0139j4p80","country_code":"CN","type":"education","lineage":["https://openalex.org/I253932293"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Sheng Zhou","raw_affiliation_strings":["School of Acupuncture and Tuina College, Anhui University of Chinese Medicine, Longzihu Road 350, Hefei, 230012, Anhui, China"],"affiliations":[{"raw_affiliation_string":"School of Acupuncture and Tuina College, Anhui University of Chinese Medicine, Longzihu Road 350, Hefei, 230012, Anhui, China","institution_ids":["https://openalex.org/I253932293"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5024731564"],"corresponding_institution_ids":["https://openalex.org/I118987531","https://openalex.org/I143868143"],"apc_list":{"value":2610,"currency":"USD","value_usd":2610},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.79264973,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"207","issue":null,"first_page":"111630","last_page":"111630"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.32280001044273376,"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":0.32280001044273376,"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/T12254","display_name":"Machine Learning in Bioinformatics","score":0.18060000240802765,"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/T12647","display_name":"Traditional Chinese Medicine Studies","score":0.062199998646974564,"subfield":{"id":"https://openalex.org/subfields/2707","display_name":"Complementary and alternative medicine"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/reinforcement-learning","display_name":"Reinforcement learning","score":0.6880000233650208},{"id":"https://openalex.org/keywords/genetic-algorithm","display_name":"Genetic algorithm","score":0.5634999871253967},{"id":"https://openalex.org/keywords/cancer","display_name":"Cancer","score":0.47780001163482666},{"id":"https://openalex.org/keywords/pattern-recognition","display_name":"Pattern recognition (psychology)","score":0.3075000047683716},{"id":"https://openalex.org/keywords/genetic-programming","display_name":"Genetic programming","score":0.30649998784065247},{"id":"https://openalex.org/keywords/process","display_name":"Process (computing)","score":0.27559998631477356}],"concepts":[{"id":"https://openalex.org/C97541855","wikidata":"https://www.wikidata.org/wiki/Q830687","display_name":"Reinforcement learning","level":2,"score":0.6880000233650208},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6848000288009644},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.6366000175476074},{"id":"https://openalex.org/C8880873","wikidata":"https://www.wikidata.org/wiki/Q187787","display_name":"Genetic algorithm","level":2,"score":0.5634999871253967},{"id":"https://openalex.org/C121608353","wikidata":"https://www.wikidata.org/wiki/Q12078","display_name":"Cancer","level":2,"score":0.47780001163482666},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.45980000495910645},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.3075000047683716},{"id":"https://openalex.org/C110332635","wikidata":"https://www.wikidata.org/wiki/Q629498","display_name":"Genetic programming","level":2,"score":0.30649998784065247},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.27559998631477356},{"id":"https://openalex.org/C125411270","wikidata":"https://www.wikidata.org/wiki/Q18653","display_name":"Encoding (memory)","level":2,"score":0.2736999988555908},{"id":"https://openalex.org/C67203356","wikidata":"https://www.wikidata.org/wiki/Q1321905","display_name":"Reinforcement","level":2,"score":0.26420000195503235},{"id":"https://openalex.org/C2776401178","wikidata":"https://www.wikidata.org/wiki/Q12050496","display_name":"Feature (linguistics)","level":2,"score":0.25279998779296875}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000098434","descriptor_name":"Genetic Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D004365","descriptor_name":"Drugs, Chinese Herbal","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D004365","descriptor_name":"Drugs, Chinese Herbal","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015179","descriptor_name":"Colorectal Neoplasms","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":true},{"descriptor_ui":"D015179","descriptor_name":"Colorectal Neoplasms","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1016/j.compbiomed.2026.111630","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.compbiomed.2026.111630","pdf_url":null,"source":{"id":"https://openalex.org/S44278595","display_name":"Computers in Biology and Medicine","issn_l":"0010-4825","issn":["0010-4825","1879-0534"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers in Biology and Medicine","raw_type":"journal-article"},{"id":"pmid:41864092","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41864092","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers in biology and medicine","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.4528340697288513}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":35,"referenced_works":["https://openalex.org/W2785947426","https://openalex.org/W2907492528","https://openalex.org/W3113447514","https://openalex.org/W3119952098","https://openalex.org/W3130224122","https://openalex.org/W3174072928","https://openalex.org/W3201230437","https://openalex.org/W4296890754","https://openalex.org/W4312563640","https://openalex.org/W4316095903","https://openalex.org/W4318952054","https://openalex.org/W4319069705","https://openalex.org/W4320489690","https://openalex.org/W4323338513","https://openalex.org/W4378190790","https://openalex.org/W4386407597","https://openalex.org/W4387779569","https://openalex.org/W4388820192","https://openalex.org/W4389977077","https://openalex.org/W4390413985","https://openalex.org/W4390619064","https://openalex.org/W4390938908","https://openalex.org/W4391737993","https://openalex.org/W4391827434","https://openalex.org/W4393391655","https://openalex.org/W4396519787","https://openalex.org/W4400188862","https://openalex.org/W4400618520","https://openalex.org/W4403005811","https://openalex.org/W4406247719","https://openalex.org/W4408165007","https://openalex.org/W4411095946","https://openalex.org/W4411845526","https://openalex.org/W4411922717","https://openalex.org/W4415070050"],"related_works":[],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2026-04-03T22:45:19.894376","created_date":"2026-03-20T00:00:00"}
