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DTSTART;TZID=UTC:20260121T140000
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SUMMARY:AIchemy’s Monthly Webinar Series - January 2026
DESCRIPTION:KEY DETAILS\n\n\n\n\nDATE21 January 2026 TIME14:00 – 15:00 COSTFree LOCATIONOnline MS Teams \n\n\n\nREGISTRATION CLOSED\n\n\n\n\n\n\n\n\nWe are delighted to welcome you to our AIchemy Hub’s monthly webinar series. \n\n\n\nThis month’s talks: \n\n\n\nAndrea Dimitracopoulos – COO & Co-founder\, Deepmirror \n\n\n\nTalk Title: Tackling Drug Design Challenges with Molecular Assay FingerprintsIn the journey from idea to clinic\, drug discovery teams must balance potency with a wide set of ADMET constraints (solubility\, permeability\, CNS penetration\, clearance\, toxicity risk\, and more). AI can reduce the cost and time of small-molecule drug design by improving both property prediction and molecule prioritisation across the design–make–test–analyse (DMTA) cycle. In this talk\, we introduce molecular assay fingerprints as a learned representation for modelling assay endpoints. This approach combines pre-training on a large assay database with programme-specific fine-tuning to improve prediction accuracy. It also leverages Gaussian processes to quantify predictive uncertainty\, which can then be used to prioritise compounds and explore chemical space efficiently – accelerating programme progression. Benchmarking on private drug programmes illustrates how assay fingerprints can improve predictive accuracy for both potency and key ADMET properties\, dramatically reducing the number of design cycles. \n\n\n\nFederico Ottomano – Imperial College LondonTalk Title: Scalable molecular elucidation from IR and NMR spectroscopy using Machine Learning \n\n\n\n\n\nSpeakers\n\n\n\n\n\nAndrea DimitracopoulosCOO & Co-founder\, Deepmirror\n\n\n\n\n\nFederico Ottomano Postdoctoral Research Assistant\, Imperial College London\n\n\n\n\n\nGabriella Pizzuto – Webinar ChairLecturer (Assistant Professor)
URL:https://aichemy.ac.uk/event/aichemys-monthly-webinar-series-january-2026/
CATEGORIES:Webinar
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