| ANN | Artificial Neural Network |
| KPLS | Kernel-based Partial Least Squares |
| IC50 | Concentration of compound that inhibits 50% of the growth of T. cruzi in phenotypic assays |
| pIC50 | −log IC50 |
| QSAR | Quantitative Structure-Activity Relationships |
| WHO | World Health Organization |
| MW | Molecular Weight |
| aLogP | Octanol-Water Partition Coefficient |
| HBD | Hydrogen Bond Donors |
| HBA | Hydrogen Bond Acceptors |
| RB | Rotatable Bonds |
| PSA | Polar Surface Area |
| E-state | Electrotopological State |
| MR | Molar Refractivity |
| Polar | Molecular Polarizability |
| T. cruzi | Trypanosoma cruzi |
| RC | Ring Count |
| HAC | Heavy Atom Count |