Does your model know its limits? Leveraging uncertainties to find better compounds
If you’re using predictive models in your molecule design and optimisation, an accurate uncertainty estimate can be just as important…
In this webinar, we demonstrate how Augmented Chemistry®, a unique deep learning method, can learn from higher throughput data together with limited panel data to provide high-quality imputations for sensory properties.
Sensory properties are subjective measures assessed by panels of trained experts in an expensive and time-consuming process. Samar Mahmoud and Tamsin Mansley were joined by Dmitriy Chekmarev, Senior Research Investigator in computational sciences at IFF, to discuss the challenges of using this sparse and noisy sensory data in predictive models.
If you’re using predictive models in your molecule design and optimisation, an accurate uncertainty estimate can be just as important…
Binding affinity prediction continues to be a challenge in computer-aided drug design, especially in the absence of a high-quality target…
Join us for a webinar featuring experts from IDEAYA Biosciences and CDD Vault as they explore how synthetic lethality is…