{"doi":"10.1248/cpb.c23-00790","title":"Development of Drug Discovery Platforms Using Artificial Intelligence and Cheminformatics","abstract":null,"journal":"Chemical and Pharmaceutical Bulletin","year":2024,"id":46448,"datarank":0.1463492720090655,"base_score":0.6931471805599453,"endowment":0.6931471805599453,"self_citation_contribution":0.10397207708399181,"citation_network_contribution":0.04237719492507369,"self_endowment_contribution":0.10397207708399181,"citer_contribution":0.04237719492507369,"corpus_percentile":null,"corpus_rank":null,"citation_count":1,"citer_count":1,"citers_with_citation_signal":1,"citers_with_endowment":1,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":null,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":215427,"name":"Yukiko Karuo","orcid":null,"position":1,"is_corresponding":false},{"id":215428,"name":"Atsushi Tarui","orcid":null,"position":2,"is_corresponding":false},{"id":215429,"name":"Kazuyuki Sato","orcid":null,"position":3,"is_corresponding":false},{"id":215430,"name":"Makoto Kataoka","orcid":null,"position":4,"is_corresponding":false},{"id":215431,"name":"Masaaki Omote","orcid":null,"position":5,"is_corresponding":false},{"id":215426,"name":"Kentaro Kawai","orcid":null,"position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"resolved":true,"title":"Development of Drug Discovery Platforms Using Artificial Intelligence and Cheminformatics","abstract":"Recently, remarkable progress has been achieved in artificial intelligence (AI), including machine learning. Various AI models have been proposed for drug discovery, including the design of small molecules, activity prediction, and three-dimensional (3D) structure prediction of proteins. AI consists of diverse elements, including information retrieval and machine learning, and can be used in a wide range of drug discovery scenarios. In this review, we focused on AI for small-molecule drug discovery with respect to molecular design, activity prediction, and prediction of the binding poses of compounds to target molecules. We also discussed the applications of AI in academic drug discovery.","is_dataset_classified":null,"base_score":0.6931471805599453,"endowment":0.6931471805599453,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"39218704","pmcid":null,"openalex_id":"https://openalex.org/W4402084195","authors":[],"funders":[],"total_grants":0,"fwci":0.3126,"citation_percentile":0.61297882,"influential_citations":0,"citation_trend":[{"year":2025,"count":1}],"oa_status":"gold","license":null,"oa_locations":[{"url":"https://www.jstage.jst.go.jp/article/cpb/72/9/72_c23-00790/_pdf","host_type":"journal"},{"url":"https://doi.org/10.1248/cpb.c23-00790","host_type":"GOLD"},{"url":"https://www.jstage.jst.go.jp/article/cpb/72/9/72_c23-00790/_pdf","host_type":"publisher"},{"url":"http://dx.doi.org/10.1248/cpb.c23-00790","host_type":"journal"},{"url":"https://pubmed.ncbi.nlm.nih.gov/39218704","host_type":"repository"}],"fields_of_study":["Computational Drug Discovery Methods","Machine Learning in Materials Science","Genetics, Bioinformatics, and Biomedical Research","Medicine","Computer Science","Chemistry","Artificial Intelligence","Drug Discovery","Cheminformatics","Humans","Machine Learning","Small Molecule Libraries"],"mesh_terms":["Machine Learning","Cheminformatics","Artificial Intelligence","Humans","Small Molecule Libraries","Drug Discovery"],"keywords":["Cheminformatics","Drug discovery","Virtual screening","Computer science","Artificial intelligence","Machine learning","Bioinformatics","Biology"],"sdg_mappings":[],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-07-10T01:24:48.401649Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}