PYBIOMED: A PYTHON LIBRARY FOR VARIOUS MOLECULAR REPRESENTATIONS OF CHEMICALS, PROTEINS AND DNAS AND THEIR INTERACTIONS

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作者信息关键词期刊信息基础信息归属信息摘要

成果类型：

期刊论文

作者：

Dong, Jie;Yao, Zhi-Jiang;Zhang, Lin;Luo, Feijun;Lin, Qinlu;...

通讯作者：

Cao, Dong-Sheng

作者机构：

[Dong, Jie; Yao, Zhi-Jiang; Cao, Dong-Sheng] Cent S Univ, Xiangya Sch Pharmaceut Sci, 172 Tongzipo Rd, Changsha, Hunan, Peoples R China.

[Dong, Jie; Luo, Feijun; Zhang, Lin; Lin, Qinlu] Cent South Univ Forestry & Technol, Coll Food Sci & Engn, Natl Engn Lab Deep Proc Rice & Byprod, Changsha, Hunan, Peoples R China.

[Cao, Dong-Sheng; Lu, Ai-Ping] Hong Kong Baptist Univ, Sch Chinese Med, Inst Adv Translat Med Bone & Joint Dis, Hong Kong, Hong Kong, Peoples R China.

[Chen, Alex F.; Cao, Dong-Sheng] Cent S Univ, Xiangya Hosp 3, Ctr Vasc Dis & Translat Med, Changsha, Hunan, Peoples R China.

通讯机构：

[Cao, Dong-Sheng] C

[Cao, Dong-Sheng] H

Cent S Univ, Xiangya Sch Pharmaceut Sci, 172 Tongzipo Rd, Changsha, Hunan, Peoples R China.

Hong Kong Baptist Univ, Sch Chinese Med, Inst Adv Translat Med Bone & Joint Dis, Hong Kong, Hong Kong, Peoples R China.

Cent S Univ, Xiangya Hosp 3, Ctr Vasc Dis & Translat Med, Changsha, Hunan, Peoples R China.

语种：

英文

关键词：

Molecular representation;Molecular descriptors;Python library;Chemoinformatics;Data integration;Bioinformatics

期刊：

Journal of Cheminformatics

ISSN：

1758-2946

年：

2018

卷：

期：

页码：

1-11

DOI：

10.1186/s13321-018-0270-2

基金类别：

National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [81402853, 81501619]; Project of Innovation-driven Plan in Central South University; Postdoctoral Science Foundation of Central South University; Chinese Postdoctoral Science FoundationChina Postdoctoral Science Foundation [2014T70794, 2014M562142]; Key Laboratory of Special Medicine Food Process in Hunan Province [2017TP1021]

机构署名：

本校为其他机构

院系归属：

食品科学与工程学院

摘要：

With the increasing development of biotechnology and informatics technology, publicly available data in chemistry and biology are undergoing explosive growth. Such wealthy information in these data needs to be extracted and transformed to useful knowledge by various data mining methods. Considering the amazing rate at which data are accumulated in chemistry and biology fields, new tools that process and interpret large and complex interaction data are increasingly important. So far, there are no suitable toolkits that can effectively link the chemical and biological space in view of molecular ...

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