Combining spectroscopic data (MS, IR): exploratory chemometric analysis for characterising similarity/diversity of chemical structures
Author:
Publisher
Elsevier BV
Subject
Clinical Biochemistry,Spectroscopy,Drug Discovery,Pharmaceutical Science,Analytical Chemistry
Reference15 articles.
1. Optimization and visualization of molecular diversity of combinatorial libraries;Hassan;Mol. Divers.,1996
2. Can we learn to distinguish between ‘drug-like’ and ‘nondrug-like’ molecules;Ajay;J. Med. Chem.,1998
3. Tutorial: approaches to the design of combinatorial libraries;Drewry;Chemomet. Intelligent Lab. Syst.,1999
4. Molecular diversity and representativity in chemical databases;Bayada;J. Chem. Inf. Comput. Sci.,1999
5. A formal comparison between molecular quantum similarity measures and indices;Robert;J. Chem. Inf. Comput. Sci.,1998
Cited by 13 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. Penicillins;Comprehensive Heterocyclic Chemistry IV;2022
2. Effect of Polymers and Storage Relative Humidity on Amorphous Rebamipide and Its Solid Dispersion Transformation: Multiple Spectra Chemometrics of Powder X-Ray Diffraction and Near-Infrared Spectroscopy;Pharmaceuticals;2020-07-10
3. Combining spectroscopic data in the forensic analysis of paint: Application of a multiblock technique as chemometric tool;Forensic Science International;2016-06
4. Multivariate Analysis Techniques in the Forensics Investigation of the Postblast Residues by Means of Fourier Transform-Infrared Spectroscopy;Analytical Chemistry;2010-03-10
5. Partial least squares modeling of combined infrared, 1H NMR and 13C NMR spectra to predict long residue properties of crude oils;Vibrational Spectroscopy;2009-11
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