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MDDR – lead discovery
MDDR test run: 957 ligands from MDDR
- 49 5HT3 Receptor antagonists, 40 Angiotensin Converting Enzyme inhibitors (ACE), 111 HMG-Co-Reductase inhibitors (HMG), 134 PAF antagonists and 49 Thromboxane A2 antagonists (TXA2)
A) Hit rate among ten nearest neighbours for each molecule
B) 20-fold Cross Validation, 5 Molecules for query generation
Notes: