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Target-directed cancer: protein-ligand interactions  

Drug Target Review

The team that I lead within the CCDD is called the Hit Discovery and Structural Design Team. We support the drug discovery projects of the CCDD with assay development and screening, biophysics, structural biology and recombinant protein production.

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We Need Better Benchmarks for Machine Learning in Drug Discovery

Practical Cheminformatics

It is quite a bit more potent than the values one finds with screening hits, which typically have IC50s in the single to double-digit µM range. Molecules with IC50 values less than 200nM are considered active, and molecules with IC50 values greater than or equal to 200nM are considered inactive.

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