Deep learning bears promise for drug discovery, including advanced image analysis,
prediction of molecular structure and function, and automated generation of innovative …

Highlights•Repurposing existing drugs for new diseases is cost effective and time saving.•In
silico methods are crucial for rapid drug screening in the early stages.•Machine learning …

Artificial intelligence (AI) is a machine science that can mimic human behaviour like
intelligent analysis of data. AI functions with specialized algorithms and integrates with deep …

Abstract Machine learning (ML) is becoming capable of transforming biomolecular
interaction description and calculation, promising an impact on molecular and drug design …

Developing new, more effective antibiotics against resistant Mycobacterium tuberculosis that
inhibit its essential proteins is an appealing strategy for combating the global tuberculosis …

The new advances in deep learning methods have influenced many aspects of scientific
research, including the study of the protein system. The prediction of proteins' 3D structural …

Objectives Tuberculosis is a chronic lung disease caused by Mycobacterium tuberculosis
(MTB), whose thick cell envelope and drug metabolizing enzymes offering it multidrug …

Mycobacterium tuberculosis is the causative agent of TB and was estimated to cause 1.4
million death in 2019, alongside 10 million new infections. Drug resistance is a growing …

Open material databases storing thousands of material structures and their properties have
become the cornerstone of modern computational materials science. Yet, the raw simulation …

The global cost-benefit analysis of pesticide use during the last 30 years has been
characterized by a significant increase during the period from 1990 to 2007 followed by a …