Welcome to the spotlight on computer-aided drug design!

Check out our spotlight on computer-aided drug design, including access to exclusive interviews, editorials and peer-reviewed journal content from our partner journals.

Thumb untitled design
Sep 25, 2018

Visit the spotlight

The drug discovery process is long and costly, and often unsuccessful. Companies are increasingly turning to computer-aided drug design (CADD) and artificial intelligence models to aid the discovery, optimization and analysis of biologically active molecules and therapeutics.  

CADD techniques are commonly used by pharmaceutical companies in drug discovery to reduce costs, increase the hit rate of novel lead compounds and guide lead optimization. Techniques can be applied at any stage in the drug discovery pipeline, and these include: homology modelling, ligand-based virtual screening, de novo design, pharmacophore modelling and QSAR studies.

This spotlight will aim to highlight recent developments in computer-aided drug design and notable ways in which computational chemistry is being used in drug discovery. We will take a look at the methods utilized in computational medicinal chemistry, as well as notable drugs designed with the aid of CADD, big data in medicinal chemistry and the rise of artificial intelligence in drug discovery.

Visit the spotlight - new features added weekly!

Editor's picks

Interviews and opinion


Thank you to all those who took part in our survey and shares their thoughts on computer-aided drug design and the rise of artificial intelligence. The results will be shared in an infographic soon!

Journal articles


Medium untitled design


A network for the drug discovery and development community, Future Science Group

Your source for the latest news and views from the fields of drug discovery and medicinal chemistry.

No comments yet.