Table 5.

Most frequently used features for all top models (number of features range from 4 to 15)^∗.

Number	Descriptor name	Occurrence (120 models)	Meaning
11	AbsCarboxy	84	Indicator for carboxylic acid†
5	delta_log⁡D	35	log⁡D (pH 6.5) − log⁡D (pH 7.4)∧
7	M_PSA_7.0	32	PSA at pH 7.0§
1	M_log⁡P	28	log⁡P ∧
138	HA_dependent_HDCA-2_[Zefirov's_PC]	27	H-donors charged surface area#
268	ESP-FHASA_Fractional_HASA_(HASA/TMSA)_Quantum-Chemical_PC	27	H-acceptor surface area/total molecular surface area#
6	M_PSA_6.5	25	PSA at pH 6.5§
167	PPSA-1_Partial_positive_surface_area_[Quantum-Chemical_PC]	25	Partial positive surface area§
101	Topographic_electronic_index_(all_bonds)_Zefirov's_PC	23	Topological electronic index for all bonded pairs of atoms‡
8	M_PSA_7.4	21	PSA at pH 7.4§

^∗Rows with the same symbol could be categorized into the same group.