Results

• Tested 10 configurations.

• Best results found when small variation in R1 => chemists prefer large variation in R1
  • e.g., 18 × 18 × 36

• No gains in diversity with SPRESI compounds

• Diversity alone : DIV = 0.67

• Diversity + Profiles : DIV = 0.5 but with "drug-like" MW and flexibility

• Production run soon!

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