Chemistry Africa - Special Issue

Artificial Intelligence and Machine Learning with Chemistry

Artificial intelligence firmly entered the field of computational chemistry. This Special Issue is dedicated to highlighting the latest advances in the application of artificial intelligence/machine learning in all areas of computational chemistry. The topics include, but are not limited to, machine learning interatomic potentials, molecular and quantum dynamics with machine learning, extracting chemical insights from simulations with machine learning, virtual materials design, new quantum chemical methods improved with machine learning, design of other new and critical evaluation of existing artificial intelligence methods for computational chemistry. The efficacy of biophysical and chemical models can be significantly influenced by the computational and theoretical methods employed. Various machine learning (ML) and artificial intelligence (AI) techniques such as convolutional neural networks, transformers, reinforcement learning, and even advanced natural language processing are being used to accurately predict the behavior of complex biophysical and chemical systems. Such insights could be invaluable for experimental researchers and help guide hypothesis formulation in the fields of biophysics and chemistry. Therefore, we are curating a Special Issue to spotlight the latest breakthroughs in AI-driven techniques and methodologies for modeling in biophysics and chemistry. This will shed light on the ability of AI to predict and analyze experimental outcomes, thereby enabling more efficient and targeted research in these areas.
Original papers and high-quality review articles are welcome. Potential topics include, but are not limited to:

•    ML-enabled drug discovery
•    ML algorithms and applications to chemistry
•    ML algorithms and applications to biophysics
•    ML-assisted molecular modeling
•    ML-assisted quantum modeling
•    Bioinformatics analysis
 

Submission Dates:

Opening Date:  20 November 2023

Closure date: 25 April 2024

Guest Editors:

Lead Guest Editor: 
Dr. Verpoort Francis, Professor, Department of Organic  Chemistry, Peoples Friendship University of Russia (RUDN University), Moscow, Russia;
State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan, PR China.
Email: francis@whut.edu.cn (this opens in a new tab)