Proposal for a Computer-Searchable Ring Construction Database

9 PROPOSAL FOR A COMPUTER-SEARCHABLE RING CONSTRUCTION DATABASE 

Suppose a chemist wishes to propose a new synthesis for quinine that was different strategically from prior published plans. The goal is to come up with a plan that is different from past published plans that demonstrates novelty in building up the ring system in a different way than earlier published plans, and hopefully that this new methodology translates into a more material efficient plan. 

R(AB) is the number of common gray scale bonds found in both structures A and B R(A) is the nnmber of gray scale bonds in structure A R(B) is the number of gray scale bonds in structure B 

FIGURE 10.1 Target bond maps for various synthesis plans for quinine. 

Summary of Tanimoto Similarity Indices for Nine Quinine Plans 

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