Visualize chemical space as a grid #chemoinformatics #rdkit

Visualize chemical space is important for medicinal chemist I think. Recently, Prof. Bajorath group published nice article. URL is below. The author described new approach that combines SARMatrix and Molecular Grid maps. SARMatrics is one of the method for SAR analysis like Free Wilson analysis. I had interest their approach because they uses molecularContinue reading “Visualize chemical space as a grid #chemoinformatics #rdkit”