We used a cunning selection of descriptors that are associated with entropy, mainly of the ligand, which can be grouped into 4 categories: (i) 2D ligand descriptors, (ii) 3D shape ligand descriptors, (iii) 3D P-L surface descriptors. Class (i) contains the ligand conformation entropy-related descriptors suggested by Chan et al. , the lipophilicity descriptor by Soliman et al. , and the count of bond types in the ligand that correlates with the vibrational entropy.