Table 1.

Drugscore probe atoms used to analyze the corresponding physicochemical property in Cavbase

Drugscore atom type	Cavbase property	Hydrophobic/hydrophilic	Physicochemical interaction type
C.3	Aliphatic	Hydrophobic	Aliphatic
C.ar	Aromatic	Hydrophobic	Aromatic
O.3	Donor acceptor	Hydrophilic	Hydrogen bond acceptor and donor
O.2	Acceptor	Hydrophilic	Hydrogen bond acceptor
N.3	Donor	Hydrophilic	Hydrogen bond donor