A Scaffold‐based Deep Generative Model Considering Molecular Stereochemical Information-Reference-Cited by-同舟云学术

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A Scaffold‐based Deep Generative Model Considering Molecular Stereochemical Information

Published:2022-10-06 Issue:12 Volume:41 Page:2200088
ISSN:1868-1743
Container-title:Molecular Informatics
language:en
Short-container-title:Molecular Informatics

Author:

Xu Tianxu¹,Wang Minjun¹,Liu Xiaoqian¹,Feng Dawei¹,Zhu Yanjuan¹,Fan Zhe¹,Rao Shurong¹,Lu Jing¹

Affiliation:

1. Department Institution:Key Laboratory of Molecular Pharmacology and Drug Evaluation Ministry of Education Collaborative Innovation Center of Advanced Drug Delivery System and Biotech Drugs in Universities of Shandong School of Pharmacy Yantai University No. 30, Qingquan Road, Laishan District Yantai 264005 China

Funder

National Natural Science Foundation of China

Publisher

Wiley

Subject

Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/minf.202200088

Reference64 articles.

1. Computational methods in drug discovery

3. Computational Approaches for De Novo Drug Design: Past, Present, and Future

4. Multiobjective de novo drug design with recurrent neural networks and nondominated sorting

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