Enhancing reinforcement learning for de novo molecular design applying self-attention mechanisms
Author:
Affiliation:
1. Centre for Informatics and Systems of the University of Coimbra , Department of Informatics Engineering, , Coimbra , Portugal
2. Univ Coimbra , Department of Informatics Engineering, , Coimbra , Portugal
Abstract
Funder
Foundation for Science and Technology
CISUC R&D Unit
Publisher
Oxford University Press (OUP)
Subject
Molecular Biology,Information Systems
Link
https://academic.oup.com/bib/article-pdf/24/6/bbad368/52689993/bbad368.pdf
Reference41 articles.
1. Deep learning in drug discovery: opportunities, challenges and future prospects;Lavecchia;Drug Discov Today,2019
2. A survey of the usages of deep learning for natural language processing;Otter;IEEE Trans Neural Netw Learn Syst,2021
3. DeepPurpose: a deep learning library for drug-target interaction prediction;Huang;Bioinformatics,2021
4. Deep learning meets quantitative structure–activity relationship (QSAR) for leveraging structure-based prediction of solute rejection in organic solvent nanofiltration;Ignacz;J Membr Sci,2022
5. Deep generative model for therapeutic targets using transcriptomic disease-associated data-USP7 case study;Pereira;Brief Bioinform,2022
Cited by 1 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. Predicting blood–brain barrier permeability of molecules with a large language model and machine learning;Scientific Reports;2024-07-09
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