3D-QSAR Based on Quantum-Chemical Molecular Fields: Toward an Improved Description of Halogen Interactions-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

3D-QSAR Based on Quantum-Chemical Molecular Fields: Toward an Improved Description of Halogen Interactions

Published:2012-09-06 Issue:9 Volume:52 Page:2441-2453
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Güssregen Stefan¹,Matter Hans¹,Hessler Gerhard¹,Müller Marco¹,Schmidt Friedemann¹,Clark Timothy²³

Affiliation:

1. Sanofi-Aventis Deutschland GmbH, R&D, LGCR, Structure, Design and Informatics, Building G 878, 65926, Frankfurt am Main, Germany

2. Computer-Chemie-Centrum, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052 Erlangen, Germany

3. Centre for Molecular Design, University of Portsmouth, King Henry Building, Portsmouth PO1 2DY, 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/ci300253z

Reference78 articles.

1. Fluorine in Medicinal Chemistry

2. The Many Roles for Fluorine in Medicinal Chemistry

3. Important fluorinated drugs in experimental and clinical use

4. Halogenation of Drugs Enhances Membrane Binding and Permeation

5. Halogen bonding: an electrostatically-driven highly directional noncovalent interaction

Cited by 34 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. Derivation of Highly Predictive 3D-QSAR Models for hERG Channel Blockers Based on the Quantum Artificial Neural Network Algorithm;Pharmaceuticals;2023-10-24

2. Stability, Bioavailability, and Structure–Activity Relationship of Casein-Derived Peptide YPVEPF with a Sleep-Enhancing Effect;Journal of Agricultural and Food Chemistry;2022-11-16

3. On the relevance of the electron density analysis for the study of micro-hydration and its impact on the formation of a peptide-like bond;Theoretical Chemistry Accounts;2022-06-30

4. Quantum Artificial Neural Network Approach to Derive a Highly Predictive 3D-QSAR Model for Blood–Brain Barrier Passage;International Journal of Molecular Sciences;2021-10-12

5. Quantum–mechanical property prediction of solvated drug molecules: what have we learned from a decade of SAMPL blind prediction challenges?;Journal of Computer-Aided Molecular Design;2020-10-20

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