A computational method for the identification of new candidate carcinogenic and non-carcinogenic chemicals

Royal Society of Chemistry (RSC) - Tập 11 Số 9 - Trang 2541-2550
Lei Chen1,2,3,4, Chen Chu5,6,2,7,8, Jing Lu9,10,11,12,13, Xiangyin Kong5,14,2,7,8, Tao Huang5,14,2,7,8, Yu‐Dong Cai15,2,16,17
1College of Information Engineering, Shanghai Maritime University, Shanghai 201306, People's Republic of China#TAB#
2People's Republic of China
3Shanghai 201306
4Shanghai Maritime University
5Chinese Academy of sciences
6Institute of Biochemistry and Cell Biology, Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, Shanghai, 200031, People’s Republic of China
7Shanghai 200031
8Shanghai Institutes for Biological Sciences
9Collaborative Innovation Center of Advanced Drug Delivery System and Biotech Drugs in Universities of Shandong
10Key Laboratory of Molecular Pharmacology and Drug Evaluation (Ministry of Education)
11School of Pharmacy
12Yantai 264005
13Yantai University, Yantai, China
14Institute of Health Sciences
15College of Life Science, Shanghai University, Shanghai 200444, People's Republic of China
16Shanghai 200444
17Shanghai University

Tóm tắt

Several new candidate carcinogenic/non-carcinogenic chemicals obtained by our method exhibit structural dissimilarity with validated carcinogenic/non-carcinogenic chemicals.

Từ khóa


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