A machine learning based computer-aided molecular design/screening methodology for fragrance molecules | |
Zhang, Lei; Mao, Haitao; Liu, Linlin; Du, Jian; Gani, Rafiqul | |
刊名 | COMPUTERS & CHEMICAL ENGINEERING |
2018 | |
卷号 | 115页码:295-308 |
关键词 | Computer-aided molecular design Fragrance Machine learning Group contribution method Product property |
ISSN号 | 0098-1354 |
URL标识 | 查看原文 |
WOS记录号 | [DB:DC_IDENTIFIER_WOSID] |
内容类型 | 期刊论文 |
URI标识 | http://www.corc.org.cn/handle/1471x/3260828 |
专题 | 大连理工大学 |
作者单位 | 1.Dalian Univ Technol, Sch Chem Engn, Inst Chem Proc Syst Engn, Dalian 116024, Peoples R China. 2.PSE SPEED, Skyttemosen 6, DK-3450 Allerod, Denmark. |
推荐引用方式 GB/T 7714 | Zhang, Lei,Mao, Haitao,Liu, Linlin,et al. A machine learning based computer-aided molecular design/screening methodology for fragrance molecules[J]. COMPUTERS & CHEMICAL ENGINEERING,2018,115:295-308. |
APA | Zhang, Lei,Mao, Haitao,Liu, Linlin,Du, Jian,&Gani, Rafiqul.(2018).A machine learning based computer-aided molecular design/screening methodology for fragrance molecules.COMPUTERS & CHEMICAL ENGINEERING,115,295-308. |
MLA | Zhang, Lei,et al."A machine learning based computer-aided molecular design/screening methodology for fragrance molecules".COMPUTERS & CHEMICAL ENGINEERING 115(2018):295-308. |
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