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. 2021 Oct 10;22(20):10925. doi: 10.3390/ijms222010925
QED Quantitative estimate of drug-likeness
PPI Protein-protein interaction
QEPPI Quantitative estimate index for compounds targeting protein-protein interactions
RO4 Rule of four
RO5 Rule of five
PPI Protein-protein interaction
FDA The U.S. Food and Drug Administrations
MW Molecular weight
ALogP LogP value estimated by the Wildman-Crippen method
HBD The number of hydrogen bond donors
HBA The number of hydrogen bond acceptors
TPSA Topological molecular polar surface area
ROBT The number of rotatable bonds
AROM The number of aromatic rings
RING The number of ring structures
ALERTS The number of structural alerts
ROC Receiver operating characteristic
AUC Area under the curve
WGAN Wasserstein generative adversarial network
VAE Variational Autoencoder
TTR Transthyretin
PAINS Pan assay interfering compounds