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Use Case Library: Real-World Optimization Examples

SDLabs has been used across pharma, chemical, and analytical domains. These use cases show how Bayesian optimization accelerates real workflows.

Each use case below is built on a synthetic landscape — a mathematical function that captures the key trade-offs, interactions, and deceptive optima found in the real problem. The synthetic landscape lets you run the full optimization workflow in SDLabs without lab access, and observe how the AI model learns the response surface, navigates trade-offs, and converges on optimal conditions.


Summary

Use Case

Partner / Domain

Parameters

Objectives

Key Result

Link

Hydroformylation

Fragrance industry / Catalysis

5 (3 numerical + 2 categorical)

Conversion, Linear Selectivity

10-30x Rh reduction

HPLC Method Dev

Analytical Chemistry

6 (4 numerical + 2 categorical)

Peak Resolution, Total Runtime

Optimal separation in <30 experiments

Takeda Deprotection

Takeda / Pharma

5 (4 numerical + 1 categorical)

Yield

50% → 90%+ yield

Security Ink Formulation

SICPA / Printing

8 (6 numerical + 2 categorical)

Color Shift, Adhesion, Stability, Viscosity

Optimal formulation in ~18 experiments

T Cell Circuit Engineering

Stanford / Immunotherapy

6 (4 numerical + 2 categorical)

Cytotoxicity, Sparing, Persistence

Optimal circuit in ~20 experiments

CO2-to-Methanol Catalyst

ETH Zurich (SwissCAT+) / Catalysis

8 (all numerical, metal loadings)

MeOH Selectivity, CO2 Conversion, CH4 Selectivity, Metal Cost

100 years of catalyst R&D in 6 weeks


Common SDLabs Features Demonstrated

  • Multi-objective (Chimera hierarchy) — rank objectives by importance with tolerances

  • Categorical variables — discrete choices like solvents, ligands, and column types

  • Mixture constraints — enforce that component fractions sum to 100%

  • Target objectives — optimize toward a specific value (e.g., viscosity = 25 Pa.s)

  • Expert context — inject domain knowledge to guide the optimizer

  • Automated iteration via API — run optimization loops programmatically

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