Deep learning in drug discovery: an integrative review and future challenges

H Askr, E Elgeldawi, H Aboul Ella… - Artificial Intelligence …, 2023 - Springer
Recently, using artificial intelligence (AI) in drug discovery has received much attention
since it significantly shortens the time and cost of developing new drugs. Deep learning (DL) …

Artificial intelligence applied to battery research: hype or reality?

T Lombardo, M Duquesnoy, H El-Bouysidy… - Chemical …, 2021 - ACS Publications
This is a critical review of artificial intelligence/machine learning (AI/ML) methods applied to
battery research. It aims at providing a comprehensive, authoritative, and critical, yet easily …

[HTML][HTML] Machine learning in chemical engineering: strengths, weaknesses, opportunities, and threats

MR Dobbelaere, PP Plehiers, R Van de Vijver… - Engineering, 2021 - Elsevier
Chemical engineers rely on models for design, research, and daily decision-making, often
with potentially large financial and safety implications. Previous efforts a few decades ago to …

Machine learning on sustainable energy: A review and outlook on renewable energy systems, catalysis, smart grid and energy storage

D Rangel-Martinez, KDP Nigam… - … Research and Design, 2021 - Elsevier
This study presents a broad view of the current state of the art of ML applications in the
manufacturing sectors that have a considerable impact on sustainability and the …

Review of machine learning for hydrodynamics, transport, and reactions in multiphase flows and reactors

LT Zhu, XZ Chen, B Ouyang, WC Yan… - Industrial & …, 2022 - ACS Publications
Artificial intelligence (AI), machine learning (ML), and data science are leading to a
promising transformative paradigm. ML, especially deep learning and physics-informed ML …

Recent trends on hybrid modeling for Industry 4.0

J Sansana, MN Joswiak, I Castillo, Z Wang… - Computers & Chemical …, 2021 - Elsevier
The chemical processing industry has relied on modeling techniques for process monitoring,
control, diagnosis, optimization, and design, especially since the third industrial revolution …

Process systems engineering–the generation next?

EN Pistikopoulos, A Barbosa-Povoa, JH Lee… - Computers & Chemical …, 2021 - Elsevier
Abstract Process Systems Engineering (PSE) is the scientific discipline of integrating scales
and components describing the behavior of a physicochemical system, via mathematical …

Machine learning in chemical engineering: A perspective

AM Schweidtmann, E Esche, A Fischer… - Chemie Ingenieur …, 2021 - Wiley Online Library
The transformation of the chemical industry to renewable energy and feedstock supply
requires new paradigms for the design of flexible plants,(bio‐) catalysts, and functional …

Opportunities and challenges for machine learning in materials science

D Morgan, R Jacobs - Annual Review of Materials Research, 2020 - annualreviews.org
Advances in machine learning have impacted myriad areas of materials science, such as
the discovery of novel materials and the improvement of molecular simulations, with likely …

Exploring the potential of time-series transformers for process modeling and control in chemical systems: an inevitable paradigm shift?

N Sitapure, JSI Kwon - Chemical Engineering Research and Design, 2023 - Elsevier
The last two years have seen groundbreaking advances in natural language processing
(NLP) with the advent of applications like ChatGPT, Codex, and ChatSonic. This revolution …