CADD Flowchart

Figure 1. CADD Flowchart. "E I = enzyme-inhibitor complex. Ascan binding interactions using strategy described in reference 16. T and I are structurally similar, relative energies or estimated relative free energies.

The following Figure 3.13 illustrates a typical flowchart used by drug-discovery researchers by making uses of a variety of known CADD approaches. 

Fig. 3.13. Flowchart for Computer Aided Drug Design [CADD].

Optimization of Lead Compounds A typical flowchart used for the desired optimization of lead compounds with CADD techniques is depicted in Figure 3.14. 

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