Computational Chemistry & Biologics, Merck Healthcare, Darmstadt, Germany; ELLIS Unit Linz and LIT AI Lab, Institute for Machine Learning, Johannes Kepler University Linz, Austria
Johannes Schimunek, Philipp Seidl, Lukas Friedrich, Daniel Kuhn, Friedrich Rippmann, Sepp Hochreiter, Günter Klambauer
Context-enriched molecule representations improve few-shot drug discovery