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. 2021 Sep 15;22(18):9983. doi: 10.3390/ijms22189983
AI Artificial Intelligence
ADMET Absorption, distribution, metabolism, excretion, and toxicity
AUC Area Under the Curve
AUPR Area Under the Precision–Recall Curve
AE Autoencoder
CNN Convolutional Neural Networks
CI Concordance Index
DDI Drug–Drug Interaction
MAE Mean Absolute Error
MCC Matthews Correlation Coefficient
ML Machine Learning
MLP Multi-Layer Perceptron
DL Deep learning
DTA Drug–Target Affinity
DTI Drug–Target Interaction
DTP Drug–Target Pair
FP Fingerprint
FPR False Positive Rate
HBA Hydrogen Bond Acceptor
HBD Hydrogen Bond Donor
HTS High-Throughput Screening
GAN Generative Adversarial Networks
GCN Graph Convolutional Networks
GO Gene Ontology
LINCS Library of Integrated Network-based Cellular Signatures
LSTM Long Short-Term Memory
PPI Protein–Protein Interaction
QSAR Quantitative Structure-Activity Relationship
RMSE Root Mean Square Error
RNN Recurrent Neural Networks
SMILES Simplified Molecular-Input Line-Entry System
TPR True Positive Rate
TPSA Topological Polar Surface Area
VAE Variational AutoEncoder
VS Virtual Screening