X
Search Filters
Format Format
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
relationship 3d-qspr models (14) 14
thermodynamic properties (13) 13
polychlorinated-biphenyls pcbs (9) 9
prediction (7) 7
quantitative structure-activity relationship (7) 7
3d-qspr (6) 6
analysis (6) 6
chemistry, multidisciplinary (6) 6
comfa (6) 6
qspr (6) 6
biochemistry & molecular biology (5) 5
chemistry, medicinal (5) 5
pcbs (5) 5
chemistry, physical (4) 4
descriptors (4) 4
3d qsar (3) 3
chemistry (3) 3
density-functional theory (3) 3
dft (3) 3
environmental sciences (3) 3
molecular-field analysis (3) 3
polychlorinated biphenyls (3) 3
qsar (3) 3
qsar models (3) 3
quantitative structure-property relationship (3) 3
thermodynamics (3) 3
3d-qsar (2) 2
biology (2) 2
chemical-reactivity (2) 2
chemistry, analytical (2) 2
comsia (2) 2
dioxins (2) 2
drug design (2) 2
electrophilicity (2) 2
genetic algorithms (2) 2
humans (2) 2
index medicus (2) 2
kinetics (2) 2
ligands (2) 2
mathematical models (2) 2
models, chemical (2) 2
models, molecular (2) 2
molecular descriptors (2) 2
n-octanol/water partition coefficient (2) 2
pcb (2) 2
pharmacology & pharmacy (2) 2
pls (2) 2
polybrominated diphenyl ethers (2) 2
polychlorinated biphenyls - chemistry (2) 2
profiles (2) 2
quantitative structure-activity (2) 2
quantitative structure–property relationship (2) 2
structure-property relationship (2) 2
three dimensional models (2) 2
validation (2) 2
water - chemistry (2) 2
1,3,5-triazines (1) 1
1-octanol - chemistry (1) 1
209-pcb congeners (1) 1
2d-qspr (1) 1
2d‐qspr (1) 1
3-dimensional qsar (1) 1
3-dimensional quantitative structure (1) 1
3d molecular descriptors (1) 1
3d qspr (1) 1
3d‐qspr (1) 1
ab initio (1) 1
absorbers (1) 1
absorption (1) 1
adsorption (1) 1
algorithm (1) 1
alignment (1) 1
amino acid substitution (1) 1
analytical chemistry (1) 1
animals (1) 1
approach (1) 1
aqueous solubilities (1) 1
article (1) 1
artificial neural network (1) 1
artificial neural-network (1) 1
atom receptor model (1) 1
automation & control systems (1) 1
beta subtypes (1) 1
biochemistry, general (1) 1
biological and medical physics, biophysics (1) 1
biological-activity (1) 1
biomedicine (1) 1
biomedicine, general (1) 1
biotechnology (1) 1
blood brain barrier (1) 1
carbon (1) 1
catalysis (1) 1
catalytic activity (1) 1
catalytic performance (1) 1
cell biology (1) 1
cellulose - chemistry (1) 1
cellulose fiber (1) 1
chemical synthesis (1) 1
chemicals (1) 1
chemistry, applied (1) 1
more...
Language Language
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Journal of Computational Chemistry, ISSN 0192-8651, 05/2019, Volume 40, Issue 13, pp. 1374 - 1386
The two‐dimensional and three‐dimensional quantitative structure–property relationship (2D‐ and 3D‐QSPR) approaches are applied to investigate the catalytic... 
transition metal complex | catalytic performance | 2D‐QSPR | 3D‐QSPR | ethylene polymerization | 2D-QSPR | 3D-QSPR | COBALT CATALYSTS | PRECATALYSTS | 3D-QSAR | IRON | DICHLORIDES SYNTHESIS | DESCRIPTORS | CHEMISTRY, MULTIDISCIPLINARY | PREDICTION | NET CHARGES | OLIGOMERIZATION | COPOLYMERIZATION
Journal Article
Bulletin of the Korean Chemical Society, ISSN 1229-5949, 07/2015, Volume 36, Issue 7, pp. 1838 - 1847
A 3D quantitative structure–property relationship ( 3D‐QSPR ) study was performed to predict the melting points of 51 nitroaromatic compounds using the... 
Hybrid density functional theory | Melting points of nitroaromatic compounds | High energy density materials | MSEP | approach | CoMFA | MSEP approach | CoMFA approach | POLYCHLORINATED-BIPHENYLS PCBS | THERMODYNAMIC PROPERTIES | RELATIONSHIP 3D-QSPR MODELS | CHEMISTRY, MULTIDISCIPLINARY | PREDICTION
Journal Article
Fullerenes, Nanotubes and Carbon Nanostructures, ISSN 1536-383X, 05/2014, Volume 22, Issue 7, pp. 605 - 617
Journal Article
International Journal of Molecular Sciences, ISSN 1422-0067, 12/2011, Volume 12, Issue 12, pp. 8862 - 8877
Journal Article