Publications in collaboration with researchers from Central South University (3)

2023

  1. From intuition to AI: evolution of small molecule representations in drug discovery

    Briefings in bioinformatics, Vol. 25, Núm. 1

  2. Ligand-based discovery of coronavirus main protease inhibitors using MACAW molecular embeddings

    Journal of Enzyme Inhibition and Medicinal Chemistry, Vol. 38, Núm. 1, pp. 24-35

2021

  1. Machine learning study of the molecular drivers of natural product prices

    Biofuels, Bioproducts and Biorefining, Vol. 15, Núm. 6, pp. 1820-1834