Mechanism Deduction from Noisy Chemical Reaction Networks
Author:
Affiliation:
1. Laboratory of Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland
Funder
Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00310
Reference65 articles.
1. Computer Generated Pyrolysis Modeling: On-the-Fly Generation of Species, Reactions, and Rates
2. ReactionPredictor: Prediction of Complex Chemical Reactions at the Mechanistic Level Using Machine Learning
3. Systematic exploration of the mechanism of chemical reactions: the global reaction route mapping (GRRM) strategy using the ADDF and AFIR methods
4. Automated discovery of chemically reasonable elementary reaction steps
5. Complex Chemical Reaction Networks from Heuristics-Aided Quantum Chemistry
Cited by 35 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. Molecular relaxation by reverse diffusion with time step prediction;Machine Learning: Science and Technology;2024-08-06
2. SCINE—Software for chemical interaction networks;The Journal of Chemical Physics;2024-06-10
3. Uncertainty-Aware First-Principles Exploration of Chemical Reaction Networks;The Journal of Physical Chemistry A;2024-05-24
4. A human-machine interface for automatic exploration of chemical reaction networks;Nature Communications;2024-05-01
5. Interoperable workflows by exchanging grid-based data between quantum-chemical program packages;The Journal of Chemical Physics;2024-04-28
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