ESI descriptors for scaffold hopping #memo #journal #LBDD #cheminformatics (opens in new tab)

Now there are some of Folding-AI such as AF3, Boltz and OpenFold3 is available to predict 3D structure of protein-ligand complex. So we can apply SBDD approach if we don’t have experimental structures but there is still of improvement to do the approach. There are lots of reports for doing SBDD from the predicted structureContinue reading "ESI descriptors for scaffold hopping #memo #journal #LBDD #cheminformatics"