fastprop Open Source Peer Review
'Generalizable, Fast, and Accurate DeepQSPR with fastprop' is open for community-driven, open source peer review on alphaXiv - join the conversation!
Latest Work
Solubility of small molecules in organic solvents is a critically important quantity for pharmaceutical development and formulation, process control, and fine chemical synthesis
a-priori estimation is challenging and available data is limited in accuracy
FASTSOLV is the best available model for organic solubility prediction
extrapolates to unseen solutes with 2-3x better accuracy than alternatives
solubility gradient versus temperature are incredibly accurate
inference times low enough to enable real-time high-throughput applications
Freely available on chemRxiv
Source code and package on GitHub
Try for free in your browser: fastsolv.mit.edu
