Active Learning for Drug Design: A Case Study on the Plasma Exposure of Orally Administered Drugs-Reference-Cited by-同舟云学术

Active Learning for Drug Design: A Case Study on the Plasma Exposure of Orally Administered Drugs

Published:2021-11-15 Issue:22 Volume:64 Page:16838-16853
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Ding Xiaoyu¹²,Cui Rongrong³,Yu Jie¹²,Liu Tiantian¹²,Zhu Tingfei¹²,Wang Dingyan¹²,Chang Jie³,Fan Zisheng³,Liu Xiaomeng¹²,Chen Kaixian¹²³,Jiang Hualiang¹²³⁴,Li Xutong¹²,Luo Xiaomin¹²^ORCID,Zheng Mingyue¹²³^ORCID

Affiliation:

1. Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai 201203, China

2. University of Chinese Academy of Sciences, No. 19A Yuquan Road, Beijing 100049, China

3. School of Chinese Materia Medica, Nanjing University of Chinese Medicine, 138 Xianlin Road, Nanjing 210023, China

4. School of Life Science and Technology, ShanghaiTech University, 393 Huaxiazhong Road, Shanghai 200031, China

Funder

National Natural Science Foundation of China

Shanghai Municipal Science and Technology Major Project

Tencent AI Lab Rhino-Bird Focused Research Program

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.1c01683

Reference56 articles.

1. If deep learning is the answer, what is the question?

2. Deep learning for healthcare: review, opportunities and challenges

3. Less is more: Sampling chemical space with active learning

4. Automating drug discovery

5. Active machine learning helps drug hunters tackle biology

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