CADD	Computer-aided drug design
QSAR	Quantitative structure–activity relationships
NMR	Nuclear magnetic resonance
DNDD	De novo drug design
MCSS	Multiple copy simultaneous search
ChEMBL	Chemical database of bioactive molecules with drug-like properties
ADMET	Absorption, distribution, metabolism, excretion, and toxicity
AI	Artificial intelligence
ML	Machine learning
DL	Deep learning
RNN	Recurrent neural networks
CNN	Convolutional neural networks
GAN	Generative adversarial networks
AE	Autoencoders
RL	Reinforcement learning
DRL	Deep reinforcement learning
SMILES	Simplified molecular-input line-entry system
ReLeaSE	Reinforcement learning for structural evolution
TL	Transfer learning
LSTM	Long short-term memory
nll
2D	Two-dimensional
DNN	Deep neural network
RANC	Reinforced adversarial neural computer
ATNC	Adversarial threshold neural computer
IDC	Internal diversity clustering
VAE	Variational autoencoder
3D	Three-dimensional
MW	Molecular weight
LogP	Octanol-water partition coefficient
HBD	Hydrogen-bond donor
HBA	Hydrogen-bond acceptor
TPSA	Topological polar surface area
seq2seq AE	Sequence to sequence autoencoder
GRU	Gated recurrent unit
AAE	Adversarial autoencoder
PSO	Particle swarm optimization
OECD	Organization’s for the Economic Cooperation and Development
SA	Synthetic accessibility
SC	Synthetic complexity
MOA	Mechanism-of-action
COVID-19	Coronavirus disease 2019
SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2
Mpro	Main protease
ACE-2	Angiotensin II
WGAN	Wasserstein GAN
US FDA	United States food and drug administration
GCGR	Glucagon receptor
EMA	European medicines agency
HMA	Heads of medical agencies
QMRF	QSAR model report format
DDR1	Discoidin domain receptor 1