Lead-Oriented Synthesis of Epigenetic Relevant Scaffolds - LOSERS
We recently reported a simple and rational method to rank molecules’ lead-likeness using continuous evaluation functions here. To make this available to the community the pipeline and all the files used in the paper are available to download. We hope this tool will be useful to those seeking to develop new probes and inhibitors of epigenetic targets. The pipeline can also be readily repurposed to explore other areas of chemical space.
Download Knime Pipeline and Requisite Files Here