Figure 9
From: Molpher: a software framework for systematic chemical space exploration
An example of the path between pentamidine (CID 4735) and 2-imino-3-(1H-indol-3-yl)propanoic acid (CID 5599) from dataset D3 . The path was generated using Morgan fingerprint, Tanimoto coefficient, and synthetic accessibility filter turned on. The arrows’ labels show the used morphing operators (see Figure 2). The depiction of the path was done by OpenBabel [74].