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A Novel Scoring Profile for the Design of Antibacterials Active Against Gram-Negative Bacteria

Nov 28, 2018

A Novel Scoring Profile for the Design of Antibacterials Active Against Gram-Negative Bacteria

Nov 28, 2018

In the poster “A Novel Scoring Profile for the Design of Antibacterials Active Against Gram-Negative Bacteria” by Bailey Montefiore, Franca Klingler and Nick Foster, the authors used the rule induction method to define a multi-parameter scoring profile to guide the generation of novel antibacterials active against gram-negative bacteria. The profile developed uses nine ADME QSAR predicted properties

  • Topological Polar surface area
  • Flexibility
  • logD
  • Molecular weight
  • Number of hydrogen bond acceptors
  • Protein Binding
  • Blood brain barrier penetration
  • Solubility
  • hERG affinity

 

If you would like to use the scoring profile as part of StarDrop it can be downloaded as a .zip file.