Predicting the Melting Point of Energetic Molecules Using a Learnable Graph Neural Fingerprint Model-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Predicting the Melting Point of Energetic Molecules Using a Learnable Graph Neural Fingerprint Model

Published:2023-05-04 Issue:19 Volume:127 Page:4328-4337
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Song Siwei¹,Wang Yi¹^ORCID,Tian Xiaolan¹,He Wei²^ORCID,Chen Fang¹,Wu Junnan¹,Zhang Qinghua³^ORCID

Affiliation:

1. Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang, Sichuan 621000, China

2. School of Aeronautics and Astronautics, Sichuan University, Chengdu, Sichuan 610065, China

3. School of Astronautics, Northwestern Polytechnic University, Xi’an, Shaanxi 710072, China

Funder

China Postdoctoral Science Foundation

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c00112

Reference62 articles.

1. Perspective on the Relationship between Melting Points and Chemical Structure

2. Molecular Descriptors Influencing Melting Point and Their Role in Classification of Solid Drugs

3. Melting Point and Molecular Symmetry

4. Estimation of Melting Points of Organic Compounds

5. General Melting Point Prediction Based on a Diverse Compound Data Set and Artificial Neural Networks

Cited by 4 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. Melting points of compounds of the heavier Group 14 elements: the influence of the polarizability effect;Russian Chemical Bulletin;2024-04

2. Insight into melting point differences of dinitroimidazoles and dinitropyrazoles from the perspective of intermolecular interactions;Physical Chemistry Chemical Physics;2024

3. Bionic inspired multifunctional modular energetic materials: an exploration of new generation of application-oriented energetic materials;Journal of Materials Chemistry A;2024

4. Predicting the enthalpy of formation of energetic molecules via conventional machine learning and GNN;Physical Chemistry Chemical Physics;2024

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