Build your optimized library
Upload your data, configure the optimization, and explore the balance between selectivity and cost.
Sessions expire after two hours of inactivity or a server restart. Download results you want to keep. Optimization can run for up to four hours.
Upload Target List
Drag & drop your files here, or click to browse
CSV or Excel (.xlsx) with a "Target" column · Accepts
target names, ChEMBL
IDs, Gene Symbols, or UniProt Accessions
Custom Compound Prices (Optional)
Drag & drop custom price files, or click to browse
CSV or Excel (.xlsx) with "Compound" and "Price" (USD/mg) column
· Accepts compound names,
ChEMBL IDs, SMILES Strings, or InChIKeys for compound IDs
⚙️ Building Selectivity Matrix
Searching for selective compounds
Getting price data
Saving matrix
⚙️ Configure NSGA-II Optimization
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Compounds
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Targets
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Pool Cost (USD)
0.0
1.0
0.0
1.0
Final Selectivity Score Used By The Algorithm: 0.5 × Mean Selectivity + 0.5 × Min Selectivity
%
0%
20%
📈 Pareto Front
👆Click a Solution to Select It • 🔍Click and drag to zoom (double-click to reset)
📊 Library Comparison
| Metric | Original Pool | Optimized |
|---|
Optimized Library Compounds
| ChEMBL ID | InChIKey | Price (USD/mg) |
|---|
🗺️ Selectivity Heatmap
= No Data