Unsupervised 3D Ring Template Searching as an Ideas Generator for Scaffold Hopping: Use of the LAMDA, RigFit, and Field-Based Similarity Search (FBSS) Methods-Reference-Cited by-同舟云学术

Unsupervised 3D Ring Template Searching as an Ideas Generator for Scaffold Hopping: Use of the LAMDA, RigFit, and Field-Based Similarity Search (FBSS) Methods

Published:2006-07-26 Issue:5 Volume:46 Page:1882-1890
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Bohl Martin,Loeprecht Björn,Wendt Bernd¹,Heritage Trevor²,Richmond Nicola J.,Willett Peter

Affiliation:

1. Tripos Discovery Research Ltd., Tripos Discovery Research Centre, Bude-Stratton Business Park, Bude, Cornwall EX23 8LY, United Kingdom

2. Tripos, Inc., 1699 South Hanley Road, St. Louis, Missouri 63144

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/ci049657k

Reference55 articles.

1. Toward General Methods of Targeted Library Design: Topomer Shape Similarity Searching with Diverse Structures as Queries

3. The Most Common Chemical Replacements in Drug-Like Compounds

4. Prospective Identification of Biologically Active Structures by Topomer Shape Similarity Searching

5. CAVEAT: A program to facilitate the design of organic molecules

Cited by 11 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. Cluster analysis to identify prominent patterns of anti-hypertensives: A three-tiered unsupervised learning approach;Informatics in Medicine Unlocked;2020

2. Perspectives from Medicinal Chemistry;Bioisosteres in Medicinal Chemistry;2012-08-03

3. Classification of scaffold-hopping approaches;Drug Discovery Today;2012-04

4. Fragment-Based Drug Design: Considerations for Good ADME Properties;ADMET for Medicinal Chemists;2010-11-29

5. Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization;Molecular Informatics;2010-05-05