uamc

There are 0 repository under uamc topic.

• silicos-it / qed

  The QED (Quantitative Estimation of Drug-likeness) molecular descriptor to use in combination with RDKit

  uamcqedrdkitcheminformaticsmolecular-descriptorsgregory-gerebtzofflogpdescriptors
  Language:Python 14

• silicos-it / spectrophore

  Spectrophore technology as published in J. Cheminformatics (2018) 10, 9

  descriptorscheminformaticsuamcspectrophoreelectrostaticslipophilicityshapeelectrophilicity
  Language:Python 4