Archive
Drug Discovery
Causal models for lead optimization: LeadScope and research notes on which structural edits move potency, safety and developability.
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Causal modeling of over 41,000 drug molecules targeting breast cancer
In this post, we show that is possible to apply causal learning and inference to massive and high-dimensional data. We took to causal modeling of 207 molecular properties…
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Drug Discovery with Causal Networks, Acetylecholinesterase (AChE)
Explore the role of causality in drug discovery. Discover how understanding the causal relationships between molecular features can optimize drug potency.