Application of Bioactivity Profile-Based Fingerprints for Building Machine Learning Models-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Application of Bioactivity Profile-Based Fingerprints for Building Machine Learning Models

Published:2018-11-09 Issue:3 Volume:59 Page:962-972
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Sturm Noé¹^ORCID,Sun Jiangming¹^ORCID,Vandriessche Yves²,Mayr Andreas³,Klambauer Günter³^ORCID,Carlsson Lars⁴,Engkvist Ola¹,Chen Hongming¹

Affiliation:

1. Hit Discovery, Discovery Sciences, IMED Biotech Unit, AstraZeneca, Pepparedsleden 1, 43153 Mölndal, Sweden

2. Intel Corporation, Data Center Group, Veldkant 31, 2550 Kontich, Belgium

3. LIT AI Lab & Institute for Machine Learning, Johannes Kepler University Linz, Altenbergerstr 69, 4040 Linz, Austria

4. Quantitative Biology, Discovery Sciences, IMED Biotech Unit, AstraZeneca, Pepparedsleden 1, 43153 Mölndal, Sweden

Funder

H2020 Excellent Science

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.8b00550

Reference57 articles.

1. Molecular Similarity in Medicinal Chemistry

2. Extended-Connectivity Fingerprints

3. Using Cheminformatics in Drug Discovery

4. Do Structurally Similar Molecules Have Similar Biological Activity?

Cited by 24 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. Cell Painting-based bioactivity prediction boosts high-throughput screening hit-rates and compound diversity;Nature Communications;2024-04-24

2. Transfer learning with graph neural networks for improved molecular property prediction in the multi-fidelity setting;Nature Communications;2024-02-26

3. Bayesian Optimization in Drug Discovery;Methods in Molecular Biology;2023-09-14

4. 3D based generative PROTAC linker design with reinforcement learning;Briefings in Bioinformatics;2023-09

5. Evaluating Scalable Supervised Learning for Synthesize-on-Demand Chemical Libraries;Journal of Chemical Information and Modeling;2023-08-25

同舟云学术

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