{"id":"https://openalex.org/W4400042185","doi":"https://doi.org/10.1021/acs.jcim.4c00621","title":"DrugFlow: An AI-Driven One-Stop Platform for Innovative Drug Discovery","display_name":"DrugFlow: An AI-Driven One-Stop Platform for Innovative Drug Discovery","publication_year":2024,"publication_date":"2024-06-26","ids":{"openalex":"https://openalex.org/W4400042185","doi":"https://doi.org/10.1021/acs.jcim.4c00621","pmid":"https://pubmed.ncbi.nlm.nih.gov/38920405"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.4c00621","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c00621","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","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/A5066323913","display_name":"Chao Shen","orcid":"https://orcid.org/0000-0003-2783-5529"},"institutions":[{"id":"https://openalex.org/I4210123185","display_name":"Zhejiang Lab","ror":"https://ror.org/02m2h7991","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210123185"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Chao Shen","raw_affiliation_strings":["Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China","Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China"],"raw_orcid":"https://orcid.org/0000-0003-2783-5529","affiliations":[{"raw_affiliation_string":"Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China","institution_ids":[]},{"raw_affiliation_string":"Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","institution_ids":["https://openalex.org/I4210123185","https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060690937","display_name":"Jianfei Song","orcid":"https://orcid.org/0009-0007-2471-2060"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Jianfei Song","raw_affiliation_strings":["Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5008663435","display_name":"Chang\u2010Yu Hsieh","orcid":"https://orcid.org/0000-0002-6242-4218"},"institutions":[{"id":"https://openalex.org/I4210123185","display_name":"Zhejiang Lab","ror":"https://ror.org/02m2h7991","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210123185"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Chang-Yu Hsieh","raw_affiliation_strings":["Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China","Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China","institution_ids":[]},{"raw_affiliation_string":"Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","institution_ids":["https://openalex.org/I4210123185","https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5083809384","display_name":"Dongsheng Cao","orcid":"https://orcid.org/0000-0003-3604-3785"},"institutions":[{"id":"https://openalex.org/I139660479","display_name":"Central South University","ror":"https://ror.org/00f1zfq44","country_code":"CN","type":"education","lineage":["https://openalex.org/I139660479"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Dongsheng Cao","raw_affiliation_strings":["Xiangya School of Pharmaceutical Sciences, Central South University, Changsha 410004, Hunan, China"],"raw_orcid":"https://orcid.org/0000-0003-3604-3785","affiliations":[{"raw_affiliation_string":"Xiangya School of Pharmaceutical Sciences, Central South University, Changsha 410004, Hunan, China","institution_ids":["https://openalex.org/I139660479"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100624617","display_name":"Yu Kang","orcid":"https://orcid.org/0000-0002-0999-8802"},"institutions":[{"id":"https://openalex.org/I4210123185","display_name":"Zhejiang Lab","ror":"https://ror.org/02m2h7991","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210123185"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yu Kang","raw_affiliation_strings":["Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China"],"raw_orcid":"https://orcid.org/0000-0002-0999-8802","affiliations":[{"raw_affiliation_string":"Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","institution_ids":["https://openalex.org/I4210123185","https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103022982","display_name":"Wenling Ye","orcid":"https://orcid.org/0000-0003-0598-8962"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Wenling Ye","raw_affiliation_strings":["Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102788910","display_name":"Zhenxing Wu","orcid":"https://orcid.org/0000-0002-1060-5957"},"institutions":[{"id":"https://openalex.org/I4210123185","display_name":"Zhejiang Lab","ror":"https://ror.org/02m2h7991","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210123185"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhenxing Wu","raw_affiliation_strings":["Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","institution_ids":["https://openalex.org/I4210123185","https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101848725","display_name":"Jike Wang","orcid":"https://orcid.org/0000-0002-8118-8572"},"institutions":[{"id":"https://openalex.org/I4210123185","display_name":"Zhejiang Lab","ror":"https://ror.org/02m2h7991","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210123185"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jike Wang","raw_affiliation_strings":["Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","institution_ids":["https://openalex.org/I4210123185","https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5114060810","display_name":"Odin Zhang","orcid":null},"institutions":[{"id":"https://openalex.org/I4210123185","display_name":"Zhejiang Lab","ror":"https://ror.org/02m2h7991","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210123185"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Odin Zhang","raw_affiliation_strings":["Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","institution_ids":["https://openalex.org/I4210123185","https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101922527","display_name":"Xujun Zhang","orcid":"https://orcid.org/0000-0002-5633-1517"},"institutions":[{"id":"https://openalex.org/I4210123185","display_name":"Zhejiang Lab","ror":"https://ror.org/02m2h7991","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210123185"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xujun Zhang","raw_affiliation_strings":["Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","institution_ids":["https://openalex.org/I4210123185","https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009036506","display_name":"Hao Zeng","orcid":"https://orcid.org/0000-0001-9148-1716"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Hao Zeng","raw_affiliation_strings":["Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101803413","display_name":"Heng Cai","orcid":"https://orcid.org/0009-0008-2868-6653"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Heng Cai","raw_affiliation_strings":["Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China"],"raw_orcid":"https://orcid.org/0009-0008-2868-6653","affiliations":[{"raw_affiliation_string":"Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101178963","display_name":"Yu Chen","orcid":"https://orcid.org/0000-0001-5064-6721"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Yu Chen","raw_affiliation_strings":["Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111239660","display_name":"Linkang Chen","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Linkang Chen","raw_affiliation_strings":["Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026756896","display_name":"Hao Luo","orcid":"https://orcid.org/0000-0003-0707-2042"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Hao Luo","raw_affiliation_strings":["Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101092658","display_name":"Xinda Zhao","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Xinda Zhao","raw_affiliation_strings":["Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010070609","display_name":"Tianye Jian","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Tianye Jian","raw_affiliation_strings":["Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100461288","display_name":"Tong Chen","orcid":"https://orcid.org/0009-0001-6718-097X"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Tong Chen","raw_affiliation_strings":["Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5052900302","display_name":"Dejun Jiang","orcid":"https://orcid.org/0000-0002-2035-5074"},"institutions":[{"id":"https://openalex.org/I4210123185","display_name":"Zhejiang Lab","ror":"https://ror.org/02m2h7991","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210123185"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Dejun Jiang","raw_affiliation_strings":["Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China"],"raw_orcid":"https://orcid.org/0000-0002-2035-5074","affiliations":[{"raw_affiliation_string":"Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","institution_ids":["https://openalex.org/I4210123185","https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101919658","display_name":"Mingyang Wang","orcid":"https://orcid.org/0000-0003-0525-6120"},"institutions":[{"id":"https://openalex.org/I4210123185","display_name":"Zhejiang Lab","ror":"https://ror.org/02m2h7991","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210123185"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Mingyang Wang","raw_affiliation_strings":["Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","institution_ids":["https://openalex.org/I4210123185","https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5091294648","display_name":"Qing Ye","orcid":"https://orcid.org/0000-0003-3927-1919"},"institutions":[{"id":"https://openalex.org/I4210123185","display_name":"Zhejiang Lab","ror":"https://ror.org/02m2h7991","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210123185"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Qing Ye","raw_affiliation_strings":["Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","institution_ids":["https://openalex.org/I4210123185","https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101203525","display_name":"Jialu Wu","orcid":null},"institutions":[{"id":"https://openalex.org/I4210123185","display_name":"Zhejiang Lab","ror":"https://ror.org/02m2h7991","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210123185"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jialu Wu","raw_affiliation_strings":["Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","institution_ids":["https://openalex.org/I4210123185","https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040789716","display_name":"Hongyan Du","orcid":"https://orcid.org/0000-0003-1077-3958"},"institutions":[{"id":"https://openalex.org/I4210123185","display_name":"Zhejiang Lab","ror":"https://ror.org/02m2h7991","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210123185"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hongyan Du","raw_affiliation_strings":["Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","institution_ids":["https://openalex.org/I4210123185","https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061744233","display_name":"Hui Shi","orcid":"https://orcid.org/0000-0002-0674-8891"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Hui Shi","raw_affiliation_strings":["Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040753258","display_name":"Yafeng Deng","orcid":"https://orcid.org/0000-0003-2416-6913"},"institutions":[{"id":"https://openalex.org/I99065089","display_name":"Tsinghua University","ror":"https://ror.org/03cve4549","country_code":"CN","type":"education","lineage":["https://openalex.org/I99065089"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Yafeng Deng","raw_affiliation_strings":["Department of Automation, Tsinghua University, Beijing 100084, China","Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Automation, Tsinghua University, Beijing 100084, China","institution_ids":["https://openalex.org/I99065089"]},{"raw_affiliation_string":"Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5028525523","display_name":"Tingjun Hou","orcid":"https://orcid.org/0000-0001-7227-2580"},"institutions":[{"id":"https://openalex.org/I4210123185","display_name":"Zhejiang Lab","ror":"https://ror.org/02m2h7991","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210123185"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Tingjun Hou","raw_affiliation_strings":["Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China","Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China"],"raw_orcid":"https://orcid.org/0000-0001-7227-2580","affiliations":[{"raw_affiliation_string":"Hangzhou Carbonsilicon AI Technology Co., Ltd., Hangzhou 310018, Zhejiang, China","institution_ids":[]},{"raw_affiliation_string":"Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","institution_ids":["https://openalex.org/I4210123185","https://openalex.org/I76130692"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":26,"corresponding_author_ids":["https://openalex.org/A5028525523","https://openalex.org/A5040753258"],"corresponding_institution_ids":["https://openalex.org/I4210123185","https://openalex.org/I76130692","https://openalex.org/I99065089"],"apc_list":null,"apc_paid":null,"fwci":13.1366,"has_fulltext":false,"cited_by_count":38,"citation_normalized_percentile":{"value":0.99126922,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":100},"biblio":{"volume":"64","issue":"14","first_page":"5381","last_page":"5391"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9988999962806702,"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":0.9988999962806702,"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/T13937","display_name":"Genetics, Bioinformatics, and Biomedical Research","score":0.9656999707221985,"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/T12859","display_name":"Cell Image Analysis Techniques","score":0.9560999870300293,"subfield":{"id":"https://openalex.org/subfields/1304","display_name":"Biophysics"},"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/drug-discovery","display_name":"Drug discovery","score":0.7615196108818054},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.5331990122795105},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.41611456871032715},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.40854567289352417},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.24022188782691956},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.20893594622612},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.15220358967781067},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.11933082342147827}],"concepts":[{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.7615196108818054},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.5331990122795105},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.41611456871032715},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.40854567289352417},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.24022188782691956},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.20893594622612},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.15220358967781067},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.11933082342147827}],"mesh":[{"descriptor_ui":"D000067917","descriptor_name":"Cloud Computing","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000067917","descriptor_name":"Cloud Computing","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000067917","descriptor_name":"Cloud Computing","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":false},{"descriptor_ui":"D000465","descriptor_name":"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":false},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.4c00621","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c00621","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:38920405","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38920405","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":"Journal of chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G4598670785","display_name":null,"funder_award_id":"92370130","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6163115511","display_name":null,"funder_award_id":"2022M722795","funder_id":"https://openalex.org/F4320321543","funder_display_name":"China Postdoctoral Science Foundation"},{"id":"https://openalex.org/G7903508730","display_name":null,"funder_award_id":"22220102001","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G8046587924","display_name":null,"funder_award_id":"22303081","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G8050305443","display_name":null,"funder_award_id":"GZB20230656","funder_id":"https://openalex.org/F4320321543","funder_display_name":"China Postdoctoral Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320321543","display_name":"China Postdoctoral Science Foundation","ror":"https://ror.org/0426zh255"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":49,"referenced_works":["https://openalex.org/W1985588649","https://openalex.org/W1988037271","https://openalex.org/W2009867031","https://openalex.org/W2102377211","https://openalex.org/W2130479394","https://openalex.org/W2134967712","https://openalex.org/W2149148148","https://openalex.org/W2204695023","https://openalex.org/W2295598076","https://openalex.org/W2775175656","https://openalex.org/W2888936354","https://openalex.org/W2889626193","https://openalex.org/W2911964244","https://openalex.org/W2937307539","https://openalex.org/W2955986556","https://openalex.org/W2959938226","https://openalex.org/W2966284335","https://openalex.org/W3003076402","https://openalex.org/W3034612930","https://openalex.org/W3099724881","https://openalex.org/W3154258817","https://openalex.org/W3157427301","https://openalex.org/W3159719254","https://openalex.org/W3168430821","https://openalex.org/W3201230437","https://openalex.org/W3201738083","https://openalex.org/W3217546525","https://openalex.org/W4212894975","https://openalex.org/W4289518623","https://openalex.org/W4304193341","https://openalex.org/W4318912574","https://openalex.org/W4328048996","https://openalex.org/W4367049415","https://openalex.org/W4372330430","https://openalex.org/W4378782074","https://openalex.org/W4383099422","https://openalex.org/W4384283483","https://openalex.org/W4386498912","https://openalex.org/W4386976834","https://openalex.org/W4387451313","https://openalex.org/W4388455891","https://openalex.org/W4389479893","https://openalex.org/W4389963497","https://openalex.org/W4390099254","https://openalex.org/W4390339521","https://openalex.org/W4390449312","https://openalex.org/W4392157869","https://openalex.org/W4393410076","https://openalex.org/W6600281463"],"related_works":["https://openalex.org/W4391375266","https://openalex.org/W2748952813","https://openalex.org/W2390279801","https://openalex.org/W2358668433","https://openalex.org/W4396701345","https://openalex.org/W2376932109","https://openalex.org/W2001405890","https://openalex.org/W4396696052","https://openalex.org/W2382290278","https://openalex.org/W4395014643"],"abstract_inverted_index":{"Artificial":[0],"intelligence":[1],"(AI)-aided":[2],"drug":[3,11,59,104,125],"design":[4,126],"has":[5],"demonstrated":[6],"unprecedented":[7],"effects":[8],"on":[9],"modern":[10],"discovery,":[12,105],"but":[13],"there":[14],"is":[15,131],"still":[16],"an":[17,44],"urgent":[18],"need":[19],"for":[20,97],"user-friendly":[21],"interfaces":[22],"that":[23,48,114],"bridge":[24],"the":[25,115],"gap":[26],"between":[27],"these":[28],"sophisticated":[29],"tools":[30],"and":[31,53,85,88,109,127],"scientists,":[32],"particularly":[33],"those":[34],"who":[35],"are":[36],"less":[37],"computer":[38],"savvy.":[39],"Herein,":[40],"we":[41],"present":[42],"DrugFlow,":[43],"AI-driven":[45],"one-stop":[46],"platform":[47,116,130],"offers":[49],"a":[50,65],"clean,":[51],"convenient,":[52],"cloud-based":[54],"interface":[55],"to":[56,122],"streamline":[57],"early":[58,103],"discovery":[60],"workflows.":[61],"By":[62],"seamlessly":[63],"integrating":[64],"range":[66],"of":[67],"innovative":[68],"AI":[69,95],"algorithms,":[70],"covering":[71],"molecular":[72,78],"docking,":[73],"quantitative":[74],"structure-activity":[75],"relationship":[76],"modeling,":[77],"generation,":[79],"ADMET":[80],"(absorption,":[81],"distribution,":[82],"metabolism,":[83],"excretion":[84],"toxicity)":[86],"prediction,":[87],"virtual":[89],"screening,":[90],"DrugFlow":[91],"can":[92,117],"offer":[93],"effective":[94],"solutions":[96],"almost":[98],"all":[99],"crucial":[100],"stages":[101],"in":[102],"including":[106],"hit":[107],"identification":[108],"hit/lead":[110],"optimization.":[111],"We":[112],"hope":[113],"provide":[118],"sufficiently":[119],"valuable":[120],"guidance":[121],"aid":[123],"real-word":[124],"discovery.":[128],"The":[129],"available":[132],"at":[133],"https://drugflow.com.":[134]},"counts_by_year":[{"year":2026,"cited_by_count":12},{"year":2025,"cited_by_count":21},{"year":2024,"cited_by_count":5}],"updated_date":"2025-12-22T23:10:17.713674","created_date":"2025-10-10T00:00:00"}
