PaperAccelerating drug target inhibitor discovery with a deep generative foundation modelVijil Chenthamarakshan, Samuel C. Hoffman, et al.Science Advances
PaperPrediction of drug metabolites using neural machine translationEleni E. Litsa, Payel Das, et al.Chemical Science
Workshop paperTowards creativity characterization of generative models via group-based subset scanningCelia Cintas, Payel Das, et al.ICLR 2021
PaperAn end-to-end deep learning framework for translating mass spectra to de-novo moleculesEleni E. Litsa, Vijil Chenthamarakshan, et al.Communications Chemistry
