Novartis’s molecular filter for Hit triage #chemoinformatics #RDKit

Recently there are lots of molecular filters are proposed. These filters are used for removing or prioritizing molecules for HTS library, hit triage etc. Long time ago(2013!) I posted about the molecular filter reported from Lilly’s group. The code filter can run from ruby script. And recent version of rdkit has some useful molecularContinue reading “Novartis’s molecular filter for Hit triage #chemoinformatics #RDKit”