Keyphrases
Diamantane
93%
Sigma-1 Receptor
80%
Nicotinic Agonists
75%
Molecular Modeling Studies
73%
Electrostatic Potential
67%
Pharmacophore
65%
Computer-assisted
60%
Acetyl
56%
Molecular Modeling
52%
Carbamylcholine
46%
Nicotinic Receptors
40%
Pharmacology
40%
Molecular Electrostatic Potential
33%
Atomic Net Charges
30%
Semi-rigid
30%
Potential Drugs
30%
Molecular Surface
30%
Van Der Waals Surface
29%
Haloperidol
28%
Frog
26%
Ethylene
26%
Density Functional
26%
Spiro
26%
Electrostatic Potential Surface
25%
Bromine
25%
Adamantyl
25%
Methyl
23%
Training Set
22%
B3LYP
22%
Phencyclidine
22%
Remdesivir
20%
COVID-19 Treatment
20%
Nsp3
20%
Nsp12
20%
Nsp7
20%
Hydrogen Donor
20%
Receptor Recognition
20%
Isoquinolones
20%
Partial Map
20%
DISCOtech
20%
A1 Receptor
20%
Recognition Site
20%
Selective Functionalization
20%
Polycyclic Hydrocarbons
20%
Molecular Similarity
20%
Shape Group
20%
Steroid Binding
20%
1,3-cyclohexadiene
20%
Dehydrobromination
20%
Allylic Bromination
20%
Chemistry
Diamantane
100%
Electrostatic Potential
66%
Cation
40%
Bioactivity
40%
DFT-B3LYP Calculation
30%
Adamantane
28%
Strain Energy
27%
Molecular Surface
26%
AM1 Calculation
20%
Polycyclic Hydrocarbon
20%
Nicotinic Agonist
20%
Acetyl
20%
Cyclohexadiene
20%
Dehydrobromination
20%
Sigma Receptor Ligand
20%
Haloperidol
20%
Lithium
20%
Cyclohexene
20%
Solvolysis
20%
Nicotinic Acetylcholine Receptor Agonist
20%
Thr-Asp
20%
Cephalotaxine
20%
Organometallic Complexes
20%
Cytochalasin
20%
Formylation
20%
Deprotonation
20%
Hexane
20%
Van Der Waals Potential
20%
Molecular Modeling
20%
Occurrence in Nature
20%
Electric Field
20%
Calculation Method
20%
MNDO Calculation
20%
Carboxamide
20%
Ethylene
20%
Pentazocine
13%
Progesterone
13%
Piperidine
13%
Isomerization
13%
Chemical Shift
11%
Lewis Acid
10%
Electrostatic Charge
10%
QSAR Study
10%
Møller-Plesset Perturbation Theory
10%
Enthalpy
10%
Dichloromethane
10%
Wave Function
10%
Tetradecane
8%
Quantum Mechanical Method
6%
Molecular Mechanic
6%
Pharmacology, Toxicology and Pharmaceutical Science
Methyl Iodide
66%
Receptor
66%
Nicotinic Agent
60%
Carbachol
56%
Acetic Acid Derivative
56%
Nicotinic Receptor
40%
Anura
31%
Carbene
30%
Sigma Opiate Receptor
26%
Binding Site
26%
4 (para chlorophenyl) 1 [3 (para fluorobenzoyl)propyl] 4 piperidinol
26%
Sigma Receptor Ligand
25%
Hydrogen Bond
23%
Carbonyl Derivative
22%
Phencyclidine
22%
Artemisinin
20%
Antimalarial Agent
20%
Remdesivir
20%
Hemin
20%
SARS Coronavirus
20%
Ethylene
20%
Pentazocine
16%
Progesterone
16%
IC50
15%
Piperidine
13%
Van Der Waals Surface
13%
Molecular Mechanic
11%
Diacetyl
10%
Dichloromethane
10%
4 Acetyl 1,1 Dimethylpiperazinium Iodide
10%
Molecular Orbital
10%
Contracture
6%
Methyl Group
6%
Endoperoxide
6%
Virus Spike Protein
6%
Phenyl Group
5%
Quaternary Ammonium Derivative
5%
Ligand Binding Assay
5%
Chloride
5%
Carboxylate
5%