Polymorph Screen Design Assistant

Upload approximated solubility inputs and build a rule-based experimental plan.

Step 1: Upload & Analyze Data

High (mg/mL)

Mid (mg/mL)

Low (mg/mL)

Slurry 50 °C BP clearance (°C)

Solubility Analysis

Boiling Point vs Avg Solubility

Histogram: Avg Solubility (mg/mL)

ECDF: Fraction of solvents ≥ X

Observation Transitions (RT → 50 °C)

Not enough RT/50 °C observations to compute transitions. Add observations to see this chart.

Solubility Category Share

Miscibility Map (subset of uploaded solvents)

Blue = miscible (1); Gray = not miscible (0).

Step 2: Build Your Experimental Design

ML-based Ranking

Choose a trained model to rank recommendations. Training is optional for power users.

Prediction

Model

No trained models found yet.

Top N

Restrict to rule-based candidates

Methods (solvent models)

SVD LVD Slurry RT Slurry 50°C Slow Evap Slow Cool PIC HIC Temp Cycling Sonication Wet Grinding Melt

Optional: Train / Add Models

Train solvent multi-method model

Upload tidy table with solvent + y_* labels (0/1).

Train Anti-Solvent pair model (ASA)

Upload tidy pair table with columns: good_solvent, anti_solvent, y_asa_pair (0/1). Optional columns: miscible, delta_solubility, delta_bp, ich_total.

ML Results

Run a prediction to see ranked tables and charts here.

Step 3: Finalize & Download

Total Experiments Selected: 0