X
Search Filters
Format Format
Format Format
X
Sort by Item Count (A-Z)
Filter by Count
Journal Article (541) 541
Publication (28) 28
Book Chapter (11) 11
Book Review (5) 5
Conference Proceeding (5) 5
Book / eBook (1) 1
Dissertation (1) 1
more...
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
quantitative structure-activity relationship (436) 436
index medicus (309) 309
chemistry, multidisciplinary (208) 208
biochemistry & molecular biology (183) 183
qsar (182) 182
analysis (172) 172
humans (171) 171
chemistry (147) 147
models, molecular (140) 140
computer science, interdisciplinary applications (130) 130
chemistry, medicinal (120) 120
drug design (113) 113
animals (105) 105
molecular structure (105) 105
biophysics (97) 97
models (87) 87
computer applications in chemistry (86) 86
environmental sciences (80) 80
prediction (79) 79
biochemistry, general (77) 77
toxicology (76) 76
algorithms (70) 70
derivatives (70) 70
organic chemistry (66) 66
computer simulation (65) 65
models, chemical (64) 64
pharmacy (63) 63
pharmacology & pharmacy (60) 60
toxicity (60) 60
3d-qsar (57) 57
ligands (55) 55
life sciences (53) 53
binding (52) 52
physical chemistry (50) 50
comfa (49) 49
validation (49) 49
computer appl. in life sciences (48) 48
descriptors (48) 48
protein binding (47) 47
binding sites (46) 46
chemistry, applied (46) 46
inhibitors (46) 46
quantitative structure–activity relationship (46) 46
docking (45) 45
life sciences, general (45) 45
molecular medicine (44) 44
pharmacology/toxicology (44) 44
biomedicine general (43) 43
design (43) 43
mathematical & computational biology (42) 42
mathematical models (41) 41
biomedicine (40) 40
hydrogen bonding (40) 40
animal anatomy / morphology / histology (39) 39
article (39) 39
identification (38) 38
molecular docking (38) 38
biology (37) 37
comsia (37) 37
molecular conformation (36) 36
structure-activity relationship (36) 36
drug discovery (35) 35
pharmacology (35) 35
health informatics (34) 34
neural networks (34) 34
polymer sciences (34) 34
quantitative structure (34) 34
cancer (33) 33
universities and colleges (33) 33
drugs (32) 32
models, biological (32) 32
models, theoretical (32) 32
regression analysis (32) 32
software (32) 32
discovery (29) 29
enzyme inhibitors - chemistry (29) 29
molecular dynamics simulation (28) 28
pharmacophore (28) 28
qspr (28) 28
quantitative structure-activity relationships (28) 28
structure-activity relationships (28) 28
studies (28) 28
classification (27) 27
environment (27) 27
enzymes (27) 27
linear models (27) 27
models, statistical (27) 27
molecular biology (27) 27
rats (27) 27
regression (27) 27
chemicals (26) 26
databases, factual (26) 26
hydrophobic and hydrophilic interactions (26) 26
proteins (26) 26
qsar models (26) 26
analogs (25) 25
ecotoxicology (25) 25
environmental health (25) 25
least-squares analysis (25) 25
molecular docking simulation (25) 25
more...
Library Location Library Location
Language Language
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Chemical Biology & Drug Design, ISSN 1747-0277, 06/2009, Volume 73, Issue 6, pp. 627 - 636
Lung cancer is the second most common cancer in both men (after prostate cancer) and women (after breast cancer). The microtubule-stabilizing taxane such as... 
lung cancer | hydrophobicity | quantitative structure-activity relationship | molar refractivity | taxanes
Journal Article
Chemical Biology & Drug Design, ISSN 1747-0277, 08/2009, Volume 74, Issue 2, pp. 165 - 172
The quantitative structure-activity relationship of the novel 6-naphthylthio 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio) thymine derivatives for prediction of... 
anti-HIV-1 activity | chemometrics | quantitative structure-activity relationship | genetic algorithms | 1-(2-hydroxyethoxy-methyl)-6-(phenylthio) thymine derivatives | multiple linear regression
Journal Article
Chemical Biology & Drug Design, ISSN 1747-0277, 04/2009, Volume 73, Issue 4, pp. 403 - 415
Forty-eight chalcone analogs were synthesized and their in vitro antibacterial activity against Staphylococcus aureus NCIM 5021, Bacillus subtilis NCIM 2718,... 
chalcone | slime production | quantitative structure-activity relationship | hydrophilic/lipophilic balance | cell membrane damage
Journal Article
Chemical Biology & Drug Design, ISSN 1747-0277, 11/2009, Volume 74, Issue 5, pp. 494 - 506
The diastereoselectivity of the intermolecular 1,3-dipolar cycloaddition reaction ofd-glucose-derived nitrones with both cyclic and acyclic dipolarophiles were... 
antibacterial activity | dipolar cycloadditions | isoxazolidine derivatives | quantitative structure-activity relationship
Journal Article
Chemical Biology & Drug Design, ISSN 1747-0277, 04/2009, Volume 73, Issue 4, pp. 428 - 441
A quantitative structure-activity relationship study has been carried out, in which the relationship between the peroxisome proliferator-activated receptor α... 
quantitative structure-activity relationship | peroxisome proliferator-activated receptor | multiple linear regression
Journal Article
Chemical Biology & Drug Design, ISSN 1747-0277, 07/2006, Volume 68, Issue 1, pp. 48 - 57
Novispirin G10 is an α-helical antimicrobial peptide designed in an effort to develop alternative treatments against multidrug-resistant micro-organisms. To... 
VolSurf | novispirin G10 | quantitative structure-activity relationship | amphipathic | hydrophobic | hydrophilic | antimicrobial peptides
Journal Article
Chemical Biology & Drug Design, ISSN 1747-0277, 02/2009, Volume 73, Issue 2, pp. 225 - 235
Voltage-dependent calcium channels are crucial targets for a wide range of clinically active pharmacological agents. From these agents, 1,4-dihydropyridines... 
quantitative structure-activity relationship | calcium channels antagonist activity | 1,4-dihydropyridines
Journal Article
Chemical Biology & Drug Design, ISSN 1747-0277, 11/2008, Volume 72, Issue 5, pp. 360 - 369
Molecular docking studies on a set of bisphenylbenzimidazole derivatives were conducted to identify the compounds binding orientations within the HIV-1 reverse... 
docking | radial distribution function descriptors | quantitative structure-activity relationship | bisphenylbenzimidazole derivatives | non-nucleoside HIV-1 reverse transcriptase inhibitors
Journal Article
Chemical Biology & Drug Design, ISSN 1747-0277, 10/2009, Volume 74, Issue 4, pp. 405 - 415
The human immunodeficiency viruses type 1 reverse transcriptase is a major target for drug development. Inhibition of this enzyme has been one of the primary... 
quantitative structure-activity relationship | arylsulfonylbenzonitriles | HIV-1 reverse transcriptase | substituent electronic descriptors
Journal Article
Chemical Biology & Drug Design, ISSN 1747-0277, 11/2007, Volume 70, Issue 5, pp. 461 - 464
In the present report, a novel series of 1-indanone α1-adrenoceptor antagonists were designed and synthesized based on 3D-pharmacophore model. Their in... 
antagonists | rational design | three-dimensional quantitative structure-activity relationship | α1-adrenoceptor
Journal Article
Chemical Biology & Drug Design, ISSN 1747-0277, 06/2009, Volume 73, Issue 6, pp. 644 - 654
Quantitative structure-activity relationship analysis has been carried out for 74 diaryl ureas including aminobenzoisoxazole ureas, aminoindazole ureas,... 
support vector machine | quantitative structure-activity relationship | multivariate linear regression | vascular endothelial growth factor receptor-2 kinase inhibitors | classification | enhanced replacement method
Journal Article
Chemical Biology & Drug Design, ISSN 1747-0277, 01/2007, Volume 69, Issue 1, pp. 56 - 67
In this investigation, we first constructed four types of non-bonding interaction matrixes by defining direct contacting residue types for HLA-A*0201 protein... 
cytotoxic T lymphocyte epitope | HLA-A0201 | computer-aided vaccine design | genetic algorithm-partial least square regression | structure-based quantitative structure-activity relationship
Journal Article
Chemical Biology & Drug Design, ISSN 1747-0277, 10/2009, Volume 74, Issue 4, pp. 416 - 433
A strategy for developing accurate quantitative structure-activity relationship models enabling predictions of biological properties, when suitable knowledge... 
human ether-a-go-go-related gene inhibition | molecular docking | quantitative structure-activity relationship | sphere-exclusion
Journal Article
Journal of Enzyme Inhibition and Medicinal Chemistry, ISSN 1475-6366, 10/2005, Volume 20, Issue 5, pp. 455 - 461
Quantitative structure–activity relationship (QSAR) studies have been performed on a combined series of 2-sulfonylphenyl-3-phenyl-indoles and... 
indomethacin modifications | semi-empirical AM1 | diaryl indoles | Fujita-Ban approach | cyclooxygenase-2 inhibitors | Quantitative structure–activity relationship (QSAR)
Journal Article
Arabian Journal of Chemistry, ISSN 1878-5352, 02/2017, Volume 10, Issue S1, pp. S1081 - S1094
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 03/2013, Volume 34, Issue 7, pp. 604 - 610
Journal Article
No results were found for your search.

Cannot display more than 1000 results, please narrow the terms of your search.