Deep learning for molecular design—a review of the state of the art-Reference-Cited by-同舟云学术

Deep learning for molecular design—a review of the state of the art

Published:2019 Issue:4 Volume:4 Page:828-849
ISSN:2058-9689
Container-title:Molecular Systems Design & Engineering
language:en
Short-container-title:Mol. Syst. Des. Eng.

Author:

Elton Daniel C.¹²³⁴^ORCID,Boukouvalas Zois¹²³⁴⁵,Fuge Mark D.¹²³⁴,Chung Peter W.¹²³⁴

Affiliation:

1. Department of Mechanical Engineering

2. University of Maryland

3. Maryland

4. USA

5. Department of Mathematics and Statistics

Abstract

We review a recent groundswell of work which uses deep learning techniques to generate and optimize molecules.

Funder

Office of Naval Research

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Industrial and Manufacturing Engineering,Process Chemistry and Technology,Energy Engineering and Power Technology,Biomedical Engineering,Chemical Engineering (miscellaneous),Chemistry (miscellaneous)

Link

http://pubs.rsc.org/en/content/articlepdf/2019/ME/C9ME00039A

Reference187 articles.

1. Innovation in the pharmaceutical industry: New estimates of R&D costs

2. How to improve R&D productivity: the pharmaceutical industry's grand challenge

3. Remarks on the Evolution of Explosives

4. Estimation of the size of drug-like chemical space based on GDB-17 data

5. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Cited by 412 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. Top 20 influential AI-based technologies in chemistry;Artificial Intelligence Chemistry;2024-12

2. Design, synthesis, in vitro, and in silico studies of new thiadiazol derivatives as promising VEGFR-2 inhibitors and apoptosis inducers;Journal of Molecular Structure;2024-11

3. AI in Predictive Toxicology;Advances in Medical Technologies and Clinical Practice;2024-09-27

4. Cephalo: Multi‐Modal Vision‐Language Models for Bio‐Inspired Materials Analysis and Design;Advanced Functional Materials;2024-09-05

5. Machine learning-supported solvent design for lignin-first biorefineries and lignin upgrading;Chemical Engineering Journal;2024-09