. 2024 Feb 13;10(3):615–627. doi: 10.1021/acscentsci.3c01521

Table 2. Chemical Similarity between SpaceDock Hits and Their Closest ChEMBL Ligands^a.

graphic file with name oc3c01521_0006.jpg

Inhibition constants for human DRD3 (K_i)⁵⁰ and ligand efficiency (LE)⁵³ are given for comparison. Similarity is expressed by the Tanimoto coefficient computed on ECFP4 circular fingerprints.

Table 2. Chemical Similarity between SpaceDock Hits and Their Closest ChEMBL Ligandsa.

Table 2. Chemical Similarity between SpaceDock Hits and Their Closest ChEMBL Ligands^a.