How to perform fast and accurate 3D ligand-based affinity predictions
Binding affinity prediction continues to be a challenge in computer-aided drug design, especially in the absence of a high-quality target…
In this webinar, Matthew Segall and Peter Hunt demonstrate how Inspyra™ creates a seamless blend of your expertise and unique AI that fits naturally within your workflow. It helps you to rigorously explore many optimisation strategies and quickly identify high-quality compounds for your projects.
Inspyra™ harnesses your expert chemistry knowledge and the exploratory power of generative methods to help you identify optimal compounds faster. As you work, Inspyra™ continuously generates new compound ideas in the background while learning from your interactions.
Your responses to the ideas proposed by Inspyra™ guide the generative chemistry methods to explore vast regions of chemistry space around your chemical series and suggest optimisation strategies that are most likely to succeed in your projects.
