An empirical model for gas phase acidity and basicity estimation-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

An empirical model for gas phase acidity and basicity estimation

Published:2014-02-01 Issue:2 Volume:25 Page:91-115
ISSN:1062-936X
Container-title:SAR and QSAR in Environmental Research
language:en
Short-container-title:SAR and QSAR in Environmental Research

Author:

You H.¹,Kim G.E.¹,Na C.H.¹,Lee S.¹,Lee C.J.²,Cho K.-H.³,Akiyama Y.⁴,Ishida T.⁴,No K.T.¹²³

Affiliation:

1. Department of Biotechnology, Yonsei University, Seoul, Korea

2. Bioinformatics and Molecular Design Research Centre, Seoul, Korea

3. Department of Bioinformatics, Soongsil University, Seoul, Korea

4. Tokyo Institute of Technology, Department of Computer Science, Ookayama, Meguro-ku, Tokyo, Japan

Publisher

Informa UK Limited

Subject

Drug Discovery,Molecular Medicine,General Medicine,Bioengineering

Link

https://www.tandfonline.com/doi/pdf/10.1080/1062936X.2013.864997

Reference39 articles.

1. M.B. Smith and J. March, March’s Advanced Organic Chemistry: Reactions, Mechanisms, and Structure, 5th ed. Wiley–Interscience: New York, 2001.

2. Experimentation with different thermodynamic cycles used for pKa calculations on carboxylic acids using complete basis set and Gaussian-n models combined with CPCM continuum solvation methods

3. Computational Estimates of the Gas-Phase Basicity and Proton Affinity of Glutamic Acid

4. Gas-Phase Acidities of Disubstituted Methanes and of Enols of Carboxamides Substituted by Electron-Withdrawing Groups1

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. Chemical complexity challenge: Is multi‐instance machine learning a solution?;WIREs Computational Molecular Science;2023-11-27

2. Recent advances in CADD;Computer Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches;2022

3. Predicting ADME Properties of Chemicals;Handbook of Computational Chemistry;2017

4. Predicting ADME Properties of Chemicals;Handbook of Computational Chemistry;2016

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