FLUXMATERIA — SOLVATION
Go beyond gas-phase approximations.
Real molecules exist in solution. Get solvation free energies, solvent-dependent property shifts, and formulation-relevant predictions.
FLUXMATERIA — SOLVATION
Real molecules exist in solution. Get solvation free energies, solvent-dependent property shifts, and formulation-relevant predictions.
ΔG_solv predictions across common solvents
Intrinsic and pH-dependent solubility estimation
logP, logD predictions for distribution modeling
Property shifts between gas phase and solution
Excipient compatibility and co-solvent selection
Solubility curves and thermal stability in solution
Why solution-phase predictions matter for real-world chemistry
Enter SMILES or upload structure
Choose from available solvent library
pH, temperature, ionic strength
Solvation free energies and properties
Rank solvents by target properties
Formulation report with recommendations
Screen solvent systems and excipients for optimal drug loading and stability.
Improve aqueous solubility while maintaining potency — predict which modifications help.
Select reaction solvents considering both reactivity and downstream processing.
Estimate water/organic partitioning for environmental risk assessment.
ESOL benchmark validated — competitive with ML approaches
Aqueous solubility is validated (ESOL benchmark passed). Expanding to additional solvent systems and hydration free energy benchmarks.
View solvation free energy predictions across multiple solvent systems with formulation guidance.
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