GemAffinity: A scoring function for predicting binding affinity and virtual screening

Engineering & Materials Science

• Ligands 100%
• Screening 70%
• Proteins 41%
• Carbonic anhydrase 27%
• Molecular recognition 25%
• Estrogens 25%
• Hydrogen bonds 20%
• Molecular weight 16%
• Metals 9%
• Water 8%

Medicine & Life Sciences

• Ligands 53%
• Carbonic Anhydrase II 23%
• Estrogen Receptor Antagonists 21%
• Thymidine Kinase 18%
• Hydrogen Bonding 18%
• Protein Binding 15%
• Metals 13%
• Molecular Weight 12%
• Estrogens 12%
• Proteins 11%
• Water 10%
• Databases 9%