Table 3. Most impactful descriptors in RF models of toxicity of compounds in saline or CMC. RDKit, Indigo and CDK MACCS are the sources of different descriptors.

Descriptor	Saline > CMC rank	CMC > saline rank
Indigo number of heteroatoms	1	1
RDKit number of Lipinski hydrogen bond acceptors	2	4
Indigo number of aliphatic atoms	3
CDK MACCS key 160: CH3	4	5
CDK MACCS key: 137 Heterocycle	5
CDK MACCS key: 109 ACH2O		2
MACCS key: 120 Heterocyclic atom > 1		3