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.

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Sep 25, 2018
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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.

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