Novel Atomic-Level-Based AI Topological Descriptors: Application to QSPR/QSAR Modeling
Author:
Affiliation:
1. Research Institute of Materials Science, South China University of Technology, Guangzhou 510640, P.R. China
Publisher
American Chemical Society (ACS)
Subject
Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci020362l
Reference52 articles.
Cited by 15 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. Atomic-level AI topological indices as efficient descriptors for developing predictive QSPR models for flash points of acyclic alkanes;Journal of Thermal Analysis and Calorimetry;2023-01-01
2. Unified Linear and Nonlinear Models for Retention Prediction of Aliphatic Aldehydes and Ketones in Different Columns and Temperatures: Application of Atom-Type-Based AI Topological Indices;Chemistry Africa;2022-10-19
3. Atomic-Level Topological Indices for Prediction of the Infinite Dilution Activity Coefficients of Oxo Compounds in Water;Journal of Solution Chemistry;2020-02
4. Quantitative structure–property relationship study of standard formation enthalpies of acyclic alkanes using atom-type-based AI topological indices;Arabian Journal of Chemistry;2017-05
5. The average numbers of outliers over groups of various splits into training and test sets: A criterion of the reliability of a QSPR? A case of water solubility;Chemical Physics Letters;2012-07
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