Chemistry and materials science
Screen thousands of compositions before you make one.
Antinuous ranks candidate materials from databases and papers and runs atomistic simulations across many structures in parallel. Predictions are labeled, and each value links to its paper or run.
Use cases
Find safer replacements for a solvent
Rules like the 2023 EU limit on DMF restrict solvents your process still depends on.
You ask
We use DMF and NMP in our polymer process. List replacement solvents with similar properties and the papers that tested them.
What it does
- Antinuous looks up each solvent's properties and hazard data in PubChem.
- It searches papers for studies that swapped DMF or NMP in similar processes.
- It builds a comparison table and a chart of key properties.
You get
A sheet of candidates with properties, hazards and supporting papers.
XLogP (lower is more polar)Molecular weight (g/mol)
Molecular weight and computed polarity from PubChem. Highlighted solvents face EU limits.
Who it's for
Materials scientistsScreen candidate materials before you make them.
Synthetic chemistsCompare published synthesis routes with each value linked to its paper.
Process chemistsFind safer solvent replacements with cited hazard data.
R&D leadsPlan your next experiment from past results.
Works with
PubChem
ChEMBL
RCSB PDB
arXiv
GitHub
Google Slides
PowerPoint