An approach to the interpretation of backpropagation neural network models in QSAR studies
Author:
Affiliation:
1. a Department of Chemistry , Moscow State University , Moscow, 119899, Russia
2. b Photochemistry Center , RAS , 7a Novatorov street, Moscow, 117421, Russia
3. c Institute of Organic Chemistry , 47 Leninsky prosp., Moscow, 117913, Russia
Publisher
Informa UK Limited
Subject
Drug Discovery,Molecular Medicine,General Medicine,Bioengineering
Link
https://www.tandfonline.com/doi/pdf/10.1080/10629360290002073
Reference10 articles.
1. Zupan , J. and Gasteiger , J. 1999. Neural Networks in Chemistry and Drug Design, 380New York: Wiley/VCH.
2. Devillers , J. 1996. Neural Networks in QSAR and Drug Design, 352New York: Academic Press.
3. Analysis of linear and nonlinear QSAR data using neural networks
4. Gorban , A. N. and Rossiev , D. A. 1996. Neural Networks on Personal Computer, 276Novosibirsk: Nauka.
Cited by 52 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. XGBoost odor prediction model: finding the structure-odor relationship of odorant molecules using the extreme gradient boosting algorithm;Journal of Biomolecular Structure and Dynamics;2023-09-18
2. Machine learning methods in drug design;Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development;2023
3. Beyond Woodward–Fieser Rules: Design Principles of Property-Oriented Chromophores Based on Explainable Deep Learning Optical Spectroscopy;Journal of Chemical Information and Modeling;2022-04-27
4. Chemistry-centric explanation of machine learning models;Artificial Intelligence in the Life Sciences;2021-12
5. Explainable machine learning predictions of dual-target compounds reveal characteristic structural features;Scientific Reports;2021-11-03
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