PiMaps is a suite of Knime nodes specially developed to achieve analysis of Big Pharma chemical collections. The current set of nodes includes functionality for easily and quickly:

  • Cluster in a snap up to millions of compounds from big pharma chemical collections.
  • Visualize and manipulate big pharma collections onto Tree-Maps.
  • Work-out similarity between internal and external big collections.
  • Calculate diversity sets representative of whole collections.
  • Enrich and deorphanize series of compounds.
  • Identify series of compounds hierarchically.
  • Split and merge chemical collections.
  • Evaluate density of chemical series.

And many more!

PiMaps nodes achieve High-Throughput analysis through parallel computing based on CUDA, taking advantage of all the computing power of your Graphic Card Processing Units (GPUs).

PiMaps nodes have been tuned to work with binary Chemical descriptors available through Knime Cheminformatics Extensions but its use can be easily extended to any other source of Big Data requiring similar intensive analysis (i.e. WEB data clustering, mapping, search, etc.)

PiMaps nodes are the following:

PiMaps Builder
Join PiMaps
Split PiMaps

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