Simple Linear QSAR Models Based on Quantum Similarity Measures
Author:
Affiliation:
1. Institute of Computational Chemistry, University of Girona, Catalonia, 17071 Spain
2. Institute of Chemical Process Fundamentals, Czech Academy of Sciences, Prague 6, Suchdol 2, 165 02 Czech Republic
Publisher
American Chemical Society (ACS)
Subject
Drug Discovery,Molecular Medicine
Link
https://pubs.acs.org/doi/pdf/10.1021/jm9910728
Reference42 articles.
1. Application of Molecular Quantum Similarity to QSAR
2. Structure-Activity Relationships of a Steroid Family using Quantum Similarity Measures and Topological Quantum Similarity Indices
3. Molecular Quantum Similarity Measures Tuned 3D QSAR: An Antitumoral Family Validation Study
4. Three-Dimensional Quantitative Structure−Activity Relationships from Tuned Molecular Quantum Similarity Measures: Prediction of the Corticosteroid-Binding Globulin Binding Affinity for a Steroid Family
5. Molecular quantum similarity measures as an alternative to log P values in QSAR studies
Cited by 45 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. 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
2. Quantum similarity and QSPR in Euclidean-, and Minkowskian–Banach spaces;Journal of Mathematical Chemistry;2023-01-25
3. Quantum similarity description of a unique classical and quantum QSPR algorithm in molecular spaces: the connection with Boolean hypercubes, algorithmic intelligence, and Gödel's incompleteness theorems;Chemical Reactivity;2023
4. From quantum similarity measures to quantum analogy functors: tools for QShAR, quantitative shape-activity relations;Theoretical Chemistry Accounts;2021-05
5. Machine Learning in Chemistry;ACS In Focus;2020-05-19
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