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.