Table 2.

Most Important Dragon Chemical Descriptors Used To Predict Chemical Ocular Toxicity in kNN QSAR Models

No.	Descriptor Name	Description	Illustration	Freq.	Z- Score
1	nROH	number of alcohol groups		3.4	6.7
2	GVWAI-80	Consensus Definition of Drug-Like-Molecule	AlogP = −0.4 – 5.6; molar refractivity = 40 – 130; molecular weight = 160 – 480; atom number = 20 – 70	1.9	3.3
3	Infective-80	Anti-infective drug like index at 80%	AlogP = −0.3 – 5.1; molar refractivity = 44 – 144; molecular weight = 145 – 455; atom number = 12 – 64	1.5	3.1
4	nRCOOR	number of esters (aliphatic)		1.4	2.2
5	N-075	R--N—X or R--N--X (number of nitrogen atoms with two substitutients)		1.2	1.8
6	Depressant-80	GVW anti-depressant drug like index at 80%	AlogP = 1.4 – 4.9; molar refractivity = 62 – 114; molecular weight = 210 – 380; atom number = 32 – 56	1.1	1.7
7	nHDon	number of donor atoms for H-bonds (N and O)		1.1	1.7
8	nRCOOH	number of carboxylic acids (aliphatic)		1.1	1.7