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 ...

Jacobson, an eminent research scientist working across disciplines including computational biophysics, physical chemistry, quantum mechanics, rational drug design, and protein structure prediction, ...

A new $1.5 million award from the National Institutes of Health will allow a University of Arkansas chemist to develop mathematical models to improve the reliability and efficiency of computer-aided ...

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.

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 ...

Optibrium, a leading developer of software and AI solutions for drug discovery, today announced the acquisition of BioPharmics LLC, expanding its 3D drug design and modelling offering. Bringing ...

The artificial intelligence (AI) revolution seems to pick up pace from one week to the next, but what does it mean for the pharmaceutical sector? Since its inception, the pharmaceutical industry has ...

Adapting interrelated two-way clustering method for quantitative structure-activity relationship (QSAR) modeling of mutagenicity/non- mutagenicity of a diverse set of chemicals. A neural network-based ...