Generative ai and process systems engineering: The next frontier

B Decardi-Nelson, AS Alshehri, A Ajagekar… - Computers & Chemical …, 2024 - Elsevier
This review article explores how emerging generative artificial intelligence (GenAI) models,
such as large language models (LLMs), can enhance solution methodologies within process …

Versatile Deep Learning Pipeline for Transferable Chemical Data Extraction

AS Alshehri, KA Horstmann, F You - Journal of Chemical …, 2024 - ACS Publications
Chemical information disseminated in scientific documents offers an untapped potential for
deep learning-assisted insights and breakthroughs. Automated extraction efforts have …

A critical methodological revisit on group-contribution based property prediction of ionic liquids with machine learning

P Cao, J Chen, G Chen, Z Qi, Z Song - Chemical Engineering Science, 2024 - Elsevier
As group-contribution (GC) concept is convenient and pragmatic for predictive property
modeling, exploring the limits of GC-based models by pairing different machine learning …

Antiviral Medication Prediction Using A Deep Learning Model of Drug-Target Interaction for The Coronavirus SARS-COV

R Fredyan - Engineering, MAthematics and Computer Science …, 2024 - journal.binus.ac.id
Graph convolutional neural networks (GCNs) have shown promising performance in
modeling graph data, particularly for small-scale molecules. Message-passing neural …