Herein we present a Platform for Unified Molecular Analysis (PUMA), a free online cheminformatics suite that allows the user to perform principal component analysis and visualize the chemical space, calculate fingerprint similarity, scaffold content and properties diversity. In addition, PUMA is linked to two public online servers recently released: Consensus Diversity Plots (CDPs), used to visualize in low dimensions the global diversity of data sets, and Activity Landscape Plotter, a server to compute Structure-Activity relationships and detect activity cliffs. The input file of PUMA is a comma delimited file with SMILES, names of the data sets and IDs of the compounds. The user can interact with the plots produced online and download all the images and raw data of the diversity analysis as comma-delimited files.

Platform for unified molecular analysis (PUMA)

254th National Meeting (2017)

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