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 |