How to Build Virtual Chemical Libraries with Fragment Analogues: ChemX

How to Build Virtual Chemical Libraries with Fragment Analogues: ChemX

Introduction I want to introduce you to ChemX, a Python-based program I developed during a hackathon in 2019. You can use it to build virtual chemical libraries using fragment analogues to the building blocks of the target molecule. Using the RDKit library, ChemX assembles chemically similar fragments to create a virtual chemical library. What ChemX…