Mapping the space of chemical reactions using attention-based neural networks-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Mapping the space of chemical reactions using attention-based neural networks

Published:2021-01-28 Issue:2 Volume:3 Page:144-152
ISSN:2522-5839
Container-title:Nature Machine Intelligence
language:en
Short-container-title:Nat Mach Intell

Author:

Schwaller Philippe^ORCID,Probst Daniel,Vaucher Alain C.^ORCID,Nair Vishnu H.,Kreutter David,Laino Teodoro,Reymond Jean-Louis^ORCID

Funder

NCCR TransCure - From transport physiology to identification of therapeutic targets. Swiss National Science Foundation

Publisher

Springer Science and Business Media LLC

Subject

Artificial Intelligence,Computer Networks and Communications,Computer Vision and Pattern Recognition,Human-Computer Interaction,Software

Link

http://www.nature.com/articles/s42256-020-00284-w.pdf

Reference59 articles.

1. Grzybowski, B. A., Bishop, K. J. M., Kowalczyk, B. & Wilmer, C. E. The ‘wired’ universe of organic chemistry. Nat. Chem. 1, 31–36 (2009).

2. Coley, C. W., Rogers, L., Green, W. H. & Jensen, K. F. Computer-assisted retrosynthesis based on molecular similarity. ACS Cent. Sci. 3, 1237–1245 (2017).

3. IBM RXN for Chemistry (IBM); https://rxn.res.ibm.com

4. Coley, C. W., Barzilay, R., Jaakkola, T. S., Green, W. H. & Jensen, K. F. Prediction of organic reaction outcomes using machine learning. ACS Cent. Sci. 3, 434–443 (2017).

5. Schwaller, P., Gaudin, T., Lanyi, D., Bekas, C. & Laino, T. ‘Found in translation’: predicting outcomes of complex organic chemistry reactions using neural sequence-to-sequence models. Chem. Sci. 9, 6091–6098 (2018).

Cited by 151 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. Site-specific template generative approach for retrosynthetic planning;Nature Communications;2024-09-06

2. PepExplainer: An explainable deep learning model for selection-based macrocyclic peptide bioactivity prediction and optimization;European Journal of Medicinal Chemistry;2024-09

3. Multi-modal deep learning enables efficient and accurate annotation of enzymatic active sites;Nature Communications;2024-08-27

4. UniPTM: Multiple PTM site prediction on full-length protein sequence;2024-08-06

5. A review of transformers in drug discovery and beyond;Journal of Pharmaceutical Analysis;2024-08

同舟云学术

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