Using deep neural networks to explore chemical space
Author:
Affiliation:
1. Department of Life Science Informatics, B-it, Limes Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich Wilhelms-Universität, Bonn, Germany
Funder
funded
Publisher
Informa UK Limited
Subject
Drug Discovery
Link
https://www.tandfonline.com/doi/pdf/10.1080/17460441.2022.2019704
Reference70 articles.
1. Computer-based de novo design of drug-like molecules
2. Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions
3. How do we optimize chemical space navigation?
4. DOGS: Reaction-Driven de novo Design of Bioactive Compounds
Cited by 9 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Chemoinformatic approaches for navigating large chemical spaces.;Expert Opinion on Drug Discovery;2024-02
2. On the hunt for metalloenzyme inhibitors: Investigating the presence of metal‐coordinating compounds in screening libraries and chemical spaces;Archiv der Pharmazie;2024-01-26
3. Exploring chemical space — Generative models and their evaluation;Artificial Intelligence in the Life Sciences;2023-12
4. 67 million natural product-like compound database generated via molecular language processing;Scientific Data;2023-05-19
5. Magicmol: a light-weighted pipeline for drug-like molecule evolution and quick chemical space exploration;BMC Bioinformatics;2023-04-26
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3