Table 2 Correlation matrix for inter-correlation of five selected descriptors and their correlation with the bioactivity (pIC₅₀) against P. falciparum 3D7A with the Pearson’s correlation coefficient values

Atom count

Atom information content (a_ICM)

1

0.0031

0.0385

0.0683

0.0647

Adjacency and distance Matrix

Using atomic contribution to logP (GCUT_SLOGP_2)

0.0031

1

0.0169

0.0001

0.0088

Average total charge sum

h_pavQ

0.0385

0.0169

1

0.0084

0.0447

Particle charge

PEOE_VSA-0

0.0683

0.0001

0.0084

1

0.0573

Molecular

Estimates the synthesizability of molecules (rsynth)

0.0647

0.0088

0.0447

0.0573

1

pIC₅₀

0.1327

0.1204

0.4059

0.0962

0.0733