Mastering multi-parameter optimisation
Develop advanced MPO strategies and target the right compounds, faster.
We’re diving back into our favourite subject: multi-parameter optimisation.
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.
Develop advanced MPO strategies and target the right compounds, faster.
We’re diving back into our favourite subject: multi-parameter optimisation.
Interested in improving your binding mode predictions? Surflex-Dock is a unique method for molecular docking, offering automatic pipelines for ensemble docking, applicable to both small molecules and large peptidic macrocycles alike.