Keyphrases
Comparative Molecular Field Analysis (CoMFA)
100%
Quantitative Structure-activity Relationship
59%
Three-dimensional Quantitative Structure-activity Relationship
40%
Shape Signature
39%
Artificial Neural Network
34%
Conformational Energy
33%
CB1 Receptor
29%
Pregnane X Receptor
28%
Fingerprinting
26%
Estrogen Receptor
25%
Virtual Screening
23%
Binding Affinity
22%
Structure-activity Relationship
21%
Polysilane
21%
Polychlorinated Biphenyls
21%
Benzobisoxazole
19%
Prediction Accuracy
19%
Aromatic Heterocyclic
17%
Homology Modeling
17%
Fibrinogen Adsorption
17%
Molecular Descriptors
17%
Estrogen
16%
Triazole
16%
Rod-like
16%
Three-dimensional (3D)
16%
Surrogate Model
16%
Conformational Characteristics
16%
Sigma-1 Receptor Antagonist
16%
In Silico
16%
Molecular Mechanics
16%
Drug Discovery
16%
Cysteine Protease
15%
Chain Dimension
15%
Secondary Structure Propensity
15%
Estrogenic Activity
15%
Matrix metalloproteinase-3 (MMP-3)
15%
Phase Space
15%
Biodegradable Polymers
15%
Binding Site
15%
Molecular Structure
14%
Nuclear Receptor
14%
Training Set
14%
Molecular Orbital Calculations
14%
1,2,4-triazole
14%
Molecular Modeling
14%
Novel Class
13%
Contact-dependent
13%
Relative Binding Affinity
13%
Partial Least Squares Structural Equation Modeling (PLS-SEM)
13%
Papain
13%
Pharmacology, Toxicology and Pharmaceutical Science
Comparative Molecular Field Analysis
90%
Quantitative Structure-Activity Relationship
74%
Receptor
54%
Estrogen Receptor
34%
Quantitative Structure-Activity Relationship
32%
Drug Discovery
31%
Virtual Screening
26%
Binding Site
25%
Structure Activity Relationship
24%
Cannabinoid 1 Receptor
23%
Pregnane X Receptor
22%
Cannabinoid
20%
Triazole
18%
Receptor Antagonist
17%
Drug Development
16%
Sigma 1 Opiate Receptor
15%
Stromelysin
15%
Heparin
15%
Proteinase Inhibitor
15%
IC50
15%
Cross-Validation
13%
Oxidized Low Density Lipoprotein
13%
Carboxamide
13%
Malignant Neoplasm
13%
Anandamide
12%
Neuropathic Pain
12%
Cyclin Dependent Kinase
12%
Human Immunodeficiency Virus Proteinase
12%
Antimalarial Agent
12%
Plasmodium falciparum
11%
Mouse
11%
Methyltransferase
11%
Sulfur
11%
Cell Nucleus Receptor
11%
Tubulin
10%
Cholinesterase Inhibitor
10%
Catechol
10%
Xenoestrogen
10%
Antitumor Activity
10%
Pyrazole
10%
Penicillinase
10%
Biomaterial
10%
Scavenger Receptor A
10%
Toxoplasma gondii
10%
Inosine Phosphate
10%
Delta Opiate Receptor Agonist
10%
Opiate Receptor
10%
Polychlorinated Biphenyl
10%
Chondroitin Sulfate
9%
Dermatan Sulfate
9%
