Learning from human and chemical languages to predict biological function
Understanding how molecular structure encodes biological function remains a grand challenge in drug discovery. Here, we present PubCheF-1, a deep learning model that predicts literature-derived biological function directly from chemical structure. PubCheF-1 was trained on a dataset linking molecules to labels derived from the scientific articles in which they appear, a strategy that connects…
We haven't written up this one. bioRxiv has the full story — the link below goes straight to it.
