Application of 3D Zernike descriptors to shape-based ligand similarity searching-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Application of 3D Zernike descriptors to shape-based ligand similarity searching

Published:2009-12 Issue:1 Volume:1 Page:
ISSN:1758-2946
Container-title:Journal of Cheminformatics
language:en
Short-container-title:J Cheminform

Author:

Venkatraman Vishwesh,Chakravarthy Padmasini Ramji,Kihara Daisuke

Publisher

Springer Science and Business Media LLC

Subject

Library and Information Sciences,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Computer Science Applications

Link

http://link.springer.com/content/pdf/10.1186/1758-2946-1-19.pdf

Reference65 articles.

1. Bender A, Glen RC: Molecular similarity: a key technique in molecular informatics. Org Biomol Chem. 2004, 2: 3204-3218. 10.1039/b409813g.

2. Johnson AM, Maggiora GM: Concepts and applications of molecular similarity. 1990, New York: Wiley

3. Martin YC, Kofron JL, Traphagen LM: Do structurally similar molecules have similar biological activity?. J Med Chem. 2002, 45: 4350-4358. 10.1021/jm020155c.

4. Kubinyi H: Similarity and dissimilarity: A medicinal chemist's view. Perspectives in Drug Discovery and Design. 1998, 9-11: 225-252. 10.1023/A:1027221424359.

5. Eckert H, Bajorath J: Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches. Drug Discov Today. 2007, 12: 225-233. 10.1016/j.drudis.2007.01.011.

Cited by 49 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. Data-driven estimation of transfer integrals in undoped cuprates;Materials Today Physics;2024-06

2. PL-PatchSurfer3: Improved Structure-Based Virtual Screening for Structure Variation Using 3D Zernike Descriptors;2024-02-27

3. ProteinMAE: masked autoencoder for protein surface self-supervised learning;Bioinformatics;2023-11-29

4. QSPR in molecular spaces: ordering data, {de- & re-} constructing molecular similarity matrices, building their isometric vectors defining statistical-like momenta of molecular polyhedra, and analyzing the structure of a quantum QSPR operator;Journal of Mathematical Chemistry;2023-11-02

5. Recent Deep Learning Applications to Structure-Based Drug Design;Methods in Molecular Biology;2023-09-08

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