2D	Two-Dimensional
3D	Three-Dimensional
ADME	Absorption, Distribution, Metabolism, and Excretion
ADI	Applicability Domain Index
ANF	α-Naphthoflavone
BHF	α-Naphthoflavone (endogenous ligand identifier in PDB 2H14);
CAS	Chemical Abstracts Service
CID	Compound Identifier (PubChem)
CYP1A2	Cytochrome P450 Family 1 Subfamily A Member 2
DNA	Deoxyribonucleic Acid
ECHA	European Chemicals Agency
GI	Gastrointestinal
ISS	Istituto Superiore di Sanità
Ki	Predicted Inhibition Constant
Kp	Skin Permeation Coefficient
LE	Ligand Efficiency
MADL	Maximum Allowable Dose Level
MCS	Maximum Common Substructure
MCS-RMSD	Maximum Common Substructure Root-Mean-Square Deviation
NAMs	New Approach Methodologies
NCBI	National Center for Biotechnology Information
NGRA	Next-Generation Risk Assessment
NSRL	No Significant Risk Level
OECD	Organisation for Economic Co-operation and Development
OEHHA	Office of Environmental Health Hazard Assessment
PDB	Protein Data Bank
QSAR	Quantitative Structure–Activity Relationship
RAAF	Read-Across Assessment Framework
RMSD	Root-Mean-Square Deviation
RSLs	Restrictive Substance Lists
SCCS	Scientific Committee on Consumer Safety
SDF	Structure-Data File
SMILES	Simplified Molecular Input Line Entry System
SULT	Sulfotransferase
Tc	Tanimoto Coefficient
TPSA	Topological Polar Surface Area
TTC	Threshold of Toxicological Concern