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. 2019 Jun 8;20(11):2801. doi: 10.3390/ijms20112801
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