QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calculated with the SMILES
Author:
Publisher
Elsevier BV
Subject
Computational Mathematics,Organic Chemistry,Biochemistry,Structural Biology
Reference14 articles.
1. Condensation of halophenols with formaldehyde and primary amines;Burke;J. Org. Chem.,1964
2. Topological Indices and Related Descriptors in QSAR and QSPR;Devillers,1999
3. Antifungal and immunomodulating activities of 1,4-benzothiazine azole derivatives;Fringuelli;J. Chemother.,2001
4. Mechanism-based inactivation of cytochrome-p-450 by heteroatom-substituted cyclopropanes and formation of ring-opened products;Guengerich;J. Am. Chem. Soc.,1984
5. Exploring QSAR. Fundamentals and Applications in Chemistry and Biology;Hansch,1995
Cited by 31 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. Density function theory calculation to study the oxidation potential of electron-donating compounds; affirming the oxidation mechanism by NICS calculations;Journal of Molecular Modeling;2023-01-07
2. QSPR Models for Prediction of Redox Potentials Using Optimal Descriptors;Challenges and Advances in Computational Chemistry and Physics;2023
3. Medicinal Chemistry Meets Electrochemistry: Redox Potential in the Role of Endpoint or Molecular Descriptor in QSAR/QSPR;Mini-Reviews in Medicinal Chemistry;2020-09-01
4. Medicinal Chemistry and Computational Chemistry: Mutual Influence and Harmonization;Mini-Reviews in Medicinal Chemistry;2020-09-01
5. A novel type of organometallic 2-R-2,4-dihydro-1H-3,1-benzoxazine with R = [M(η5-C5H4)(CO)3] (M = Re or Mn) units. Experimental and computational studies of the effect of substituent R on ring-chain tautomerism;Dalton Transactions;2019
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