Data Paper Zone II Versions ZH4 Vol 4 (1) 2019
A dataset of chemical drugs
Dataset URL >>
: 2018 - 10 - 08
: 2019 - 02 - 18
: 2018 - 10 - 12
: 2019 - 03 - 22
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Abstract & Keywords
Abstract: This study collected chemical drug data from book manuals. The collected data were then classified, summarized and standardized. Structured data of the drug compounds were integrated by using the method of compound unique identification. For quality control, we developed collection specifications and methods for data sampling and backtracking, which, coupled with algorithm programs, ensured the accuracy of the key data items. The dataset contains 1060 records that fall into two subsets: one for basic drug data and the other for drug compound data. This dataset provides data support for drug development, drug improvement, as well as relevant research and education, etc.
Keywords: drug data; chemical drugs; drug compounds; drug development
Dataset Profile
TitleA dataset of chemical drugs
Data corresponding authorXu Tingjun(
Data authorsXu Tingjun, Zhao Yingli, Li Yingyong
Time range1985–2001
Geographical scopeWorldwide
Data volume5.44 MB
Data format*.MDB
Data service system
Sources of fundingCAS informatization project during the Thirteenth Five-Year Plan (XXH135);
Shanghai Chemistry & Chemical Industry Data Platform(18DZ2294000)
Dataset compositionThis dataset consists of two parts of data, one for basic drugs (including their type, name, properties, preparation, application, manufacturer, etc.) and the other for drug compounds (including their registration number, CA registration number, name, molecular formula, molecular weight, chemical structure, etc.).
Article and author information
Xu TingJun
Zhao Yingli
Li Yingyong
Publication records
Released: Oct. 12, 2018 ( VersionsZH3
Published: March 22, 2019 ( VersionsZH4