A Distance-Based Boolean Applicability Domain for Classification of High Throughput Screening Data
Author:
Affiliation:
1. Department of Bioscience and Bioinformatics, Faculty of Computer Science and Systems Engineering, Kyushu Institute of Technology, 680-4 Kawazu, Iizuka, Japan
2. PRESTO, Japan Science and Technology Agency, Kawaguchi, Saitama 332-0012, Japan
Funder
Precursory Research for Embryonic Science and Technology
Japan Science and Technology Agency
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.8b00499
Reference79 articles.
1. OECD Principles for the Validation, for Regulatory Purposes, of (Quantitative) Structure-Activity Relationship Models; OECD, Organisation for Economic Co-Operation and Development, 2004 (accessed Apr 11, 2018).
2. Modern 2D QSAR for drug discovery
3. A Mini-review on Chemoinformatics Approaches for Drug Discovery
4. Density Estimation for Statistics and Data Analysis
5. Principal component analysis
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. Evaluation and Optimization Methods for Applicability Domain Methods and Their Hyperparameters, Considering the Prediction Performance of Machine Learning Models;ACS Omega;2024-02-26
2. Developing machine learning approaches to identify candidate persistent, mobile and toxic (PMT) and very persistent and very mobile (vPvM) substances based on molecular structure;Water Research;2023-10
3. Multivariate QSAR, similarity search and ADMET studies based in a set of methylamine derivatives described as dopamine transporter inhibitors;Molecular Diversity;2023-09-06
4. Estimator for generalization performance of machine learning model trained by biased data collected from multiple references;Computer-Aided Civil and Infrastructure Engineering;2023-03-10
5. A universal similarity based approach for predictive uncertainty quantification in materials science;Scientific Reports;2022-09-02
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