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.
Binding affinity prediction continues to be a challenge in computer-aided drug design, especially in the absence of a high-quality target…