AI4PFAS

AL4PFAS is suite of datasets and software workflow for modeling chemical toxicity with a focus on the “forever chemicals” Per- and polyfluoroalkyl substances (PFAS). To address the scarcity of PFAS toxicity data, a deep “transfer learning” method has been investigated by leveraging toxicity information over the entire organic chemical domain and an uncertainty-informed workflow by incorporating SelectiveNet architecture, which can support future guidance of high throughput screening with knowledge of chemical structures, has been developed.

Try it out at: AI4PFAS

Read the paper at : JCIM