Machine Learning Predicts Degree of Aromaticity from Structural Fingerprints
Author:
Affiliation:
1. Lhasa Limited, Granary Wharf House, 2 Canal Wharf, Leeds LS11 5PS, United Kingdom
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c00483
Reference41 articles.
1. PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry
2. The PubChemQC project: A large chemical database from the first principle calculations
3. On the Harmonic Oscillator Model of Electron Delocalization (HOMED) Index and its Application to Heteroatomic π-Electron Systems
4. Quantentheoretische Beitr�ge zum Benzolproblem
5. Quanstentheoretische Beitr�ge zum Benzolproblem
Cited by 5 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. New approach methods in chemicals safety decision-making – Are we on the brink of transformative policy-making and regulatory change?;Computational Toxicology;2024-06
2. Explainable chemical artificial intelligence from accurate machine learning of real-space chemical descriptors;Nature Communications;2024-05-21
3. Unraveling oxidative aging behavior of asphaltenes using ab initio molecular dynamics and static density functional theory;Construction and Building Materials;2022-02
4. HemoNet: Predicting hemolytic activity of peptides with integrated feature learning;Journal of Bioinformatics and Computational Biology;2021-08-05
5. Prediction of Chromatography Conditions for Purification in Organic Synthesis Using Deep Learning;Molecules;2021-04-23
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