A team of Vanderbilt researchers has created a new series of drug candidates against a hard-to-target receptor involved in the formation of blood clots. The research, spearheaded by the labs of Jens ...

Computer-aided drug design (CADD) that combines computational chemistry, molecular modeling, and rational drug design with artificial intelligence (AI) and machine learning is rapidly changing the ...

The collaboration intends to improve compound screening by employing CADD and AI technologies.

Exploring the mechanisms of self-made Kuiyu Pingchang recipe for the treatment of ulcerative colitis and irritable bowel syndrome using a network pharmacology-based approach and molecular docking.

Retrosynthesis or retrosynthetic analysis (RA) is a strategic organic chemistry approach that scientists use to construct target molecules from easy-to-make or readily available precursors. 2 ...

How are we improving the way the field of drug discovery creates machine learning algorithms to predict a protein’s interactions with a small molecule? The drug development pipeline is a costly and ...