Table 2 A joint feature ranking of the DL compound descriptors.

# of non-H

0.167148

# of 2-degree cyclic atoms

0.118946

degree of cyclization

0.100268

# of non-H polar bonds

0.056622

# of rotatable bonds

0.049770

# of carbons in cap fragments

0.047428

# of cap fragments

0.043447

# of 3-degree cyclic atoms

0.040664

# of N and O atoms

0.038882

# of H-bond acceptors

0.038103

# of fragments

0.033010

maximum cap fragment size

0.032459

# of 2-degree acyclic atoms

0.027549

# of 3-degree acyclic atoms

0.021673

# of 3-level bonding patterns

0.018798

total SSSR size

0.017162

total number of 3-8 membered rings

0.017162

# of cyclic fragments

0.016538

# of 1-level bonding patterns

0.016382

# of H-bond donors

0.016217

total number of 3 to 8 unsaturated rings

0.016072

# of aromatic systems

0.014930

# of N with # of H > 0

0.012320

# of hydroxyl groups

0.009301

maximum SSSR size

0.008863

# of linkers

0.008807

# of 2-level bonding patterns

0.006729

total number of 3 to 8 saturated rings

0.004750