Browsing by Author "Maccallum, Robert"

Now showing items 1-1 of 1

Automated Ligand Design in Simulated Molecular Docking - Optimising ligand binding affinity through the application of deep Q-learning to docking simulations

Author: Maccallum, Robert Date: 2022 The drug discovery process broadly follows the sequence of high-throughput screening, optimisation, synthesis, testing, and finally, clinical trials. We investigate methods for accelerating this process with machine learning algorithms that ... Read more

Now showing items 1-1 of 1

Browse