1. Synthesis in the Chemical Space Age
Tim Cernak 
Chem 
Volume 1, Issue 1, Pages 6-9 (July 2016)
DOI: /j.chempr
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2. Figure 1
Linking Chemical Space to a Desirable Drug Profile with Synthesis
(A) Chemical space is visualized by data-reduction methods where each dot represents a molecule. There are >1060 drug-like molecules, and one of them might be a life-saving medicine.
(B) The design-make-test learning cycle is used for nominating molecules from chemical space, executing their synthesis and testing, and then analyzing the outcome and nominating the next round of molecules. Only molecules that can be synthesized will complete the learning cycle.
(C) Multiple iterations of the learning cycle are repeated until an optimized molecule with the desired biological and physicochemical profile is found.
Chem 2016 1, 6-9DOI: ( /j.chempr )
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