We present a comprehensive analysis of all ring systems (both heterocyclic and
nonheterocyclic) in clinical trial compounds and FDA-approved drugs. We show 67% of …

In the past, conventional drug discovery strategies have been successfully employed to
develop new drugs, but the process from lead identification to clinical trials takes more than …

Starches, a storage form of carbohydrates, are a major source of calories in the human diet
and a primary feedstock for bioindustry. We report a chemical-biochemical hybrid pathway …

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) …

Natural products have played a critical role in medicine due to their ability to bind and
modulate cellular targets involved in disease. Medicinal plants hold a variety of bioactive …

Pseudomonas aeruginosa is a dominant pathogen in people with cystic fibrosis (CF)
contributing to morbidity and mortality. Its tremendous ability to adapt greatly facilitates its …

Abstract PubChem (https://pubchem. ncbi. nlm. nih. gov) is a popular chemical information
resource that serves the scientific community as well as the general public, with millions of …

The first step in the construction of a regression model or a data-driven analysis, aiming to
predict or elucidate the relationship between the atomic-scale structure of matter and its …

Drug discovery is the process of new drug identification. This process is driven by the
increasing data from existing chemical libraries and data banks. The knowledge graph is …

Application of deep learning techniques for de novo generation of molecules, termed as
inverse molecular design, has been gaining enormous traction in drug design. The …