Thema
Journal Article
23
Research Support, Non-U.S. Gov't
11
Ligands
5
De novo design
4
Multi-label classification
4
Reaction class recommender
4
Reaction vector
4
Small Molecule Libraries
4
Receptors, G-Protein-Coupled
3
Review
2
de novo drug design
2
pharmaceuticals
2
reaction informatics
2
059QF0KO0R
1
0X748O646K
1
7Z8O94ECSX
1
Anti-Inflammatory Agents
1
Antineoplastic Agents
1
Antipsychotic Agents
1
Antiviral Agents
1
Artificial intelligence
1
Benzazepines
1
COVID-19
1
Cheminformatics
1
Comment
1
Comparative Study
1
Docking
1
Drug repurposing
1
EC 2.4.2.30
1
G-protein coupled receptor
1
Glutamate receptor
1
HCRTR2 protein, human
1
HRH4 protein, human
1
Histamine H3 Antagonists
1
Hypnotics and Sedatives
1
Hypoglycemic Agents
1
Imidazoles
1
In silico bioactivity prediction
1
Ion channels
1
MCHR1 protein, human
1
Machine learning
1
Mechanism of action
1
Membrane Proteins
1
Molecular dynamics
1
Orexin Receptors
1
PARP1 inhibitors
1
PARP1 protein, human
1
Pigmentation
1
Poly (ADP-Ribose) Polymerase-1
1
Poly(ADP-ribose) Polymerase Inhibitors
1
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