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FastSolv — Vecura
FastSolv
fastsolv is a solid solubility predictor that uses an ensemble of fastprop-based neural networks with Sobolev training to predict the logarithmic solubility (logS) of a solute in a solvent at a given temperature, along with aleatoric uncertainty estimates.
Input
Plain list (no header)
CC(=O)Oc1ccccc1
COc1ccc(cc1)C(=O)N
CSV with header (smiles required, name optional)
smiles,name
CC(=O)Oc1ccccc1,Aspirin
Plain list (no header)
CC(=O)Oc1ccccc1
COc1ccc(cc1)C(=O)N
CSV with header (smiles required, name optional)
smiles,name
CC(=O)Oc1ccccc1,Aspirin
K
Solubility
Configure input settings on the left, then click "Run"
