Tensor-DTI: Binding the Signal, Not the Noise
Screening is not discovery. It is queue management with chemistry attached. A modern drug-discovery team can now look at chemical libraries with tens of billions of synthesizable molecules and ask a beautifully impractical question: which of these should we spend real money testing? Experimental high-throughput screening is expensive. Docking is cheaper, but still not cheap enough when the search space stops being “large” and starts behaving like a small galaxy. Co-folding and structure-aware models add another layer of sophistication, but they also add computational cost, data assumptions, and a healthy appetite for well-behaved structural regimes. ...
