Prediction of Aqueous Solubility and Partition Coefficient Optimized by a Genetic Algorithm Based Descriptor Selection Method
Author:
Affiliation:
1. Zentrum für Bioinformatik Tübingen (ZBIT), Universität Tübingen, Sand 1, D-72076 Tübingen, Germany
Publisher
American Chemical Society (ACS)
Subject
Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci034006u
Reference48 articles.
1. Toward an Optimal Procedure for Variable Selection and QSAR Model Building
2. 2D QSAR Modeling and Preliminary Database Searching for Dopamine Transporter Inhibitors Using Genetic Algorithm Variable Selection of Molconn Z Descriptors
3. Distance-Related Indexes in the Quantitative Structure−Property Relationship Modeling
Cited by 88 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. Will we ever be able to accurately predict solubility?;Scientific Data;2024-03-18
2. Non-target analysis of organic waste amended agricultural soils: Characterization of added organic pollution;Chemosphere;2021-10
3. Structure–activity relationships and drug design;Remington;2021
4. Pruned Machine Learning Models to Predict Aqueous Solubility;ACS Omega;2020-07-01
5. Different molecular enumeration influences in deep learning: an example using aqueous solubility;Briefings in Bioinformatics;2020-06-05
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