Biscu-it™ is a collection of useful Python tools and C++ libraries that we have build on top of the RDKit chemoinformatics toolkit:

img_list Qed is a RDKit-based implementation of Richard Bickerton’s quantitative estimation of drug-likeness (Nature Chemistry 2012, 4, 90-98). Qed is implemented both as a standalone Python tool and as a function that can be integrated within your own RDKit scripts.

version 1.0.1>   manual | download

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Current projects

  • Optimisation of novel PPI's
  • Design of anti-viral compounds
  • Novel fragment-based descriptors

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