[PDF] Top 20 QSAR study by 1,2,4-triazoles using several physicochemical descriptors
Has 10000 "QSAR study by 1,2,4-triazoles using several physicochemical descriptors" found on our website. Below are the top 20 most common "QSAR study by 1,2,4-triazoles using several physicochemical descriptors".
QSAR study by 1,2,4-triazoles using several physicochemical descriptors
... that physicochemical properties such Surface Tension (ST), Molar Refraction (MR), Molar Volume (MV), Parachor (Pc), Index of Re- fractivity ( η ), Density (D) and Polarizability (α) can successfully be used for ... See full document
11
QSAR Study of 4-Benzylideneamino-Benzenesulfonamides and 4-Phenyliminomethyl-Benzenesulfonamides as Selective Cox-1 and Cox-2 Inhibitors
... of 4-benzylideneamino-benzenesulfonamide & 4-phenyliminomethyl-benzenesulfonamides derivatives were performed using Chemoffice 2003 version ...sketched using ChemDraw Ultra ...by ... See full document
6
“QSAR Study of Novel 3-substituted-5-(pyridin-4-YL) -3H-1, 3, 4-oxadiazol-2-one and 2-thione Analogues as Antimycobacterial Agents” by Mayura A Kale, Ashok S Narute, India.
... QSAR study was performed on novel 3-substituted 5-(pyridin-4-yl)-3H-1, 3, 4-oxadiazol-2-one and 2-thiione ...derive QSAR models which were further evaluated for ... See full document
6
A QSAR Study of 3, 4 Diaryloxazolones as Cyclooxygenase 2 Inhibitors
... A QSAR (Quantitative Structure Activity Relationship) analysis was performed on a series of 3, 4- Diaryloxazolones in order to gain insight into the physicochemical requirements of the molecules to ... See full document
9
Quantum chemical and energy descriptors based QSAR study of triazine derivatives
... as study material. They are listed in Table-1 along with their biological activity in terms of Log 1/C, where C is molar concentration of inhibitor causing 50% reversible inhibitions of enzyme and ... See full document
13
Predicting the drug abuse activity of some novel 4 alkoxycarbonyl 1,5 diaryl 1, 2, 3 triazoles on CB1 cannabinoid receptor using 2D and 3D QSAR (kNN MFA) analysis
... calculated descriptors were considered as independent variable and biological activity as dependent ...2D QSAR analysis, significant methods like Multiple linear regression analysis, Partial Least Square ... See full document
8
QSAR study of anti HIV drugs of 1 2 [(hydroxyethoxy) methyl] 6 (phenylthio) thymine (HEPT) derivatives by using quantum descriptors
... family. 1, 2 Originally referred to as HTLV-III or LAV, this enveloped single-stranded RNA virus is now called human immunodeficiency virus (HIV) 3, 4 and two genetically distinct subtypes, ... See full document
6
QSAR STUDIES OF FabH INHIBITORS USING GRAPH THEORETICAL & QUANTUM CHEMICAL DESCRIPTORS
... 17 2-Tosyl- napthalene-1-4-diol was identified as potent inhibitor of plasmodium falciparum FabH (PfFabH) through a virtual screening using a ...further study on ... See full document
12
Quantitative structure activity relationship analysis of some 2 substituted halogenbenzimidazoles analogues using computer aided drug designing technique
... present study was the search for novel benzimidazole compounds that would show a promise to become useful antimycobacterial ...of 2-polyfluoroalkyl and 2-Nitrobenzylsulphanyl benzimidazoles was ... See full document
9
DFT BASED QSAR STUDY OF NOVEL 4-SUBSTITUTED 1,5- DIARYLANILINES AS POTENT HIV-1 AGENTS USING QUANTUM CHEMICAL DESCRIPTORS
... these descriptors with their anti-HIV activity increases indicating their importance in studying biological ...derivatives using physicochemical and structural molecular descriptors obtained ... See full document
6
QSAR STUDIES, AND IN SILICO ADME PREDICTION OF P-AMINOSALICYLIC ACID DERIVATIVES AS NEURAMINIDASE INHIBITORS
... selected descriptors are used for mono paramatric QSAR model no.1 development which show the importance of physicochemical descriptor density which is directly proportional with the antiviral ... See full document
7
QSAR MODELLING OF NEW TRIAZOLOTHIADIAZOLE DERIVATIVES AS ANTIMICROBIALS
... Non-1, 4 VDW Energy is the energy for the through space interaction between pairs of atoms that are separated by more than three ...Non-1, 4 VDW Energy (attractive force between active ... See full document
10
PubMedCentral-PMC4997030.pdf
... In addition to identifying new alerts, we have also demonstrated the practical utility of QSAR models for identifying potential SJS-active drugs by virtual screening of the DrugBank library of 4122 drugs. Drugs ... See full document
11
Synthesis and Antimicrobial activity of Some 1, 3, 4- Oxadiazoles-2-thione and 1, 2, 4-Triazoles Derivatives from Tert-Butyl Carbazate
... nucleoside 2-( β -D- glucopyranosylthio)-5, 6, 7, 8-tetrahydro-4-(4- nitrophenyl) quinoazoline ...The 4-amino-5- tert- butoxy-3H-1, 2, 4-triazole-3-thione 10 was ... See full document
7
QSAR Modeling Of Anti HIV Protease Inhibitors Using Quantum Chemical Descriptors
... Thirty sets of combination of different descriptors have been used to calculate molecular linear regression (MLR) models. There are at least two consideration for biological activity, namely, lypophilicity and ... See full document
6
Determination of Descriptors Which Influence the Toxicity of Organochlorine Compounds Using Qsar Method
... As for volatility, it is generally due to the organochlorines’ relatively high vapor pressure. This property allows them to travel great distances. Thus, according to some studies [17- 19], organochlorine pesticides have ... See full document
13
Chemometrics and multiblock methods for quantitative structure-activity studies of artemisinin analogues and polychlorinated diphenylethers
... validated QSAR models were then applied to mine a chemical database which resulted in four potential new anti-malarial ...of using various data splitting and data pre-processing methods on ...respective ... See full document
50
DFT Study, Linear and Nonlinear Multiple Regression in the Prediction of HDAC7 Inhibitory Activities on a Series of Hydroxamic Acids
... are several methods for determining the applicability domain of a QSAR model, among which we find the lever me- thod that is used the ...of descriptors plus 1 and n the number of ... See full document
18
Global QSAR models of skin sensitisers for regulatory purposes
... the descriptors selected for the ...theory descriptors were ...the 2-dimensional structure of a compound they also have a direct relationship to reactivity and along with atomic and group-based ... See full document
6
1, 2, 4 TRIAZOLES: AS BIOLOGICALLY IMPORTANT AGENTS
... membered 1, 2, 4- triazole nucleus has been an intresting field of study for past few ...membered 1, 2, 4-triazole ring exists in two tautomeric forms ...1H-1, ... See full document
11
Related subjects