Designing Chemical Libraries for Lead Discovery

Author:

Ferguson Allan M.1,Patterson David E.1,Garr Cheryl D.2,Underiner Ted L.2

Affiliation:

1. Tripos Inc., 1699 S. Hanley Road, St. Louis, Missouri 63144

2. Panlabs Inc., 11804 N. Creek Parkway South, Bothell, Washington 98011

Abstract

The selection of compounds for use in high throughput biological assays is one of the critical factors that dictates the likelihood of detecting exploitable biological properties. In this paper, we present a process designed to deliver molecules that contain chemical functionality of immediate value in a lead discovery program, molecules that are sufficiently different from each other to ensure that redundancy of effort is avoided. The design process has already been implemented and used to add tens of thousands of reaction products to the Optiverse™ library

Publisher

Elsevier BV

Cited by 44 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. Hit discovery;The Era of Artificial Intelligence, Machine Learning, and Data Science in the Pharmaceutical Industry;2021

2. Exploration of interaction zones of β-tubulin colchicine binding domain of helminths and binding mechanism of anthelmintics;Computational Biology and Chemistry;2017-06

3. Physically sound formula for longitudinal dispersion coefficients of natural rivers;Journal of Hydrology;2017-01

4. A validation study of molecular descriptors for the rational design of peptide libraries;The Journal of Peptide Research;2009-01-12

5. Efficient Generation, Storage, and Manipulation of Fully Flexible Pharmacophore Multiplets and Their Use in 3-D Similarity Searching;Journal of Chemical Information and Computer Sciences;2003-01-28

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