Thema
Journal Article
43
QSAR
21
Docking
15
Deep learning
9
Molecular docking
9
Medicinal chemistry
8
Ligands
7
Molecular dynamics simulation
7
Denoising autoencoder
6
Diabetes
6
Latent feature
6
Research Support, Non-U.S. Gov't
5
570
4
Amino acid derivatives
4
Anticancer
4
Aprepitant
4
Biology
4
COVID-19
4
Drug repositioning
4
Drug resistance
4
Drug–target interactions prediction
4
Exosomes
4
Hybrid model
4
Inhibitory activity
4
Neutral sphingomyelinase 2
4
Tumor inhibitor
4
-Glucosidase
3
27432CM55Q
3
3J50XA376E
3
Alprazolam
3
CYP2A6
3
Caspase
3
Curcumin
3
Diazepam
3
Drug repurposing
3
Enzyme Inhibitors
3
GABA
3
Homology modeling
3
Inhibitor
3
Least squares support vector regression
3
Matrix factorization
3
Modeling
3
Molecular dynamics
3
Protein descriptor
3
Proteochemometrics
3
Serum Albumin
3
Serum Albumin, Bovine
3
Thymol
3
Virtual screening
3
bioinformatics
3
mehr ...