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 ...

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 ...

Structure-based approaches for drug design and virtual screening give new meaning to Louis Pasteur’s saying “Chance favors the prepared mind.” In silico methods are becoming more efficient in allowing ...

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 ...

In what Lawrence Livermore National Lab said is “a substantial milestone for supercomputing-aided drug design,” LLNL and BridgeBio Oncology Therapeutics today announced clinical trials have begun for ...

What is CAD? you might be wondering if you're considering a career in architecture, engineering or product design. Jobs in these areas often require skills in computer-aided design as a requisite, but ...

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 ...