Jackson Burns

Chemical Engineering and Computation PhD Researcher at MIT
Department of Energy Computational Science Graduate Fellow
Maintainer of chemprop, fastprop, astartes, and other cheminformatics packages

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

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