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Discovery

Pre-SPR Hit List Triage

For Med Chem and Discovery Biology teams wanting to de-risk HTS assays

Compute per-compound operating concentrations against your downstream assay window, minimizing aggregate-driven re-runs.

Application Note

AN-1005: Pre-SPR Solubility and Aggregation Triage of Entire Hit Lists on ORYL F1

Summary

Surface Plasmon Resonance (SPR) campaigns depend on clean hit lists. Aggregators that survive into the SPR queue generate false positives, distort kinetic constants, and damage microfluidics, driving regular sensor-chip rework and full system cleaning cycles. We demonstrate a plate-based pre-SPR triage workflow on ORYL F1 that profiles entire hit lists at SPR-relevant timepoints in ~15 minutes per 384-well plate, using ~2 μL per datapoint. A 142-compound hit list, including SPR-flagged problematic compounds, was measured at two timepoints (1 h and 24 h) with eight concentrations and two replicates.

The workflow returns per-compound diagnostics: a safe operating concentration, an avoid-above threshold, peak aggregation amplitude, a timepoint-shift behavior class, and quality flags — all with bootstrap confidence intervals. F1 risk calls concord with the SPR assay’s internal severity assessments across 10 of 11 scored compounds. The per-compound output drops directly into an SPR queue as an operating-concentration input. A ROI estimator on a 1,000-compound campaign places savings on the order of ~20 kCHF per campaign in chip consumables, rework, and microfluidics maintenance.

Quantify it

How much does running SPR without triage cost you?

Eleven inputs — campaign throughput, problem-compound rate, chip and microfluidics costs — produce an annual cost comparison of SPR-only screening against a solubility pre-filter. The model is dispassionate; the numbers are what they are.

Ready to put the F1 to work on your samples?

De-risk solubility and aggregation in your pipeline — early, with low-compound, plate-based measurement.