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, learn about Cerella’s unique AI methods, see examples of its successful application throughout the drug discovery process and watch a demonstration of how CDD Vault and Cerella connect to seamlessly integrate with your workflows. Matt Segall PhD and Barry Bunin PhD will demonstrate how Cerella:
- Proactively highlights high-quality compounds by more accurately ‘filling in’ sparse data
- Increases confidence in decision making, identify hidden opportunities, and flag outliers and false negatives
- Translates AI insights into planning of experiments
- Gains more value from your compound data, accurately predicting complex endpoints
- Adds value, even for individual project datasets, while scaling to global compound data repositories
Meet the speakers
Matt Segall, PhD: CEO, Optibrium
Matt has a Master of Science in computation from the University of Oxford and a PhD in theoretical physics from the University of Cambridge. As Associate Director at Camitro (UK), ArQule Inc. and then Inpharmatica, he led a team developing predictive ADME models and state-of-the-art intuitive decision-support and visualization tools for drug discovery. In January 2006, he became responsible for management of Inpharmatica’s ADME business, including experimental ADME services and the StarDrop software platform. Following acquisition of Inpharmatica, Matt became Senior Director responsible for BioFocus DPI’s ADMET division and in 2009 led a management buyout of the StarDrop business to found Optibrium.
Barry Bunin, PhD: CEO, Collaborative Drug Discovery
Barry A. Bunin, Ph.D. is the CEO of Collaborative Drug Discovery. Prior to CDD, he was an Entrepreneur in Residence with Eli Lilly & Co. Dr. Bunin was the founding CEO, President, & CSO of Libraria (now Eidogen-Sertanty). At Libraria, he led a team that integrated exhaustive reaction capture (synthetic chemistry) with gene-family wide SAR capture (medicinal chemistry). He has a background in medicinal synthetic chemistry developing patented new chemotypes for protease inhibition at Axys Pharmaceuticals (now Celera) and RGD mimics to inhibit GP-IIbIIIa at Genentech. Dr. Bunin received his B.A. from Columbia University and his Ph.D. from UC Berkeley.
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