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. https://pubs.acs.org/doi/pdf/10.1021/acsomega.9b00595 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”

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