Aquatic toxicity QSAR - Python export

model.py contains the exported 8-3-1 neural network.
Input order: TPSA(Tot), SAacc, H-050, MLOGP, RDCHI, GATS1p, nN, C-040.
Output: 48-hour Daphnia magna LC50 in -log(mol/L).

This example is for screening and education. Check the applicability domain and
confirm safety-critical or regulatory decisions with appropriate experimental evidence.
