[PDF] Top 20 A QSAR Study of the Activity of Some Fluorinated Anesthetics

... The density functional B3LYP was used to computationally investigate the anesthetic activity of 19 different fluorinated anesthetics. The structures were optimized at 6-311G** basis set and ... See full document

... present QSAR study on various thiazolidine-2,4-diones attempts to address this need by arriving at the physico-chemical properties required for high antihyperglycemic activity in the form of a ... See full document

... QSAR study of lipid peroxidation (LPO) inhibitory activity of 18 flavonoids belonging to four classes namely flavones, isoflavones, flavonols and flavanones has been made with the help of PM3 ... See full document

... In the other hand by means of training set, the best model is found and then, the prediction power of it is checked by validation set, as an external data set. In this work, from all 52 components, 30 components are in ... See full document

... The. Eq 1. of the biological activity of gave good model with correlation coefficient Y=(-7.035+/-4.262) C3=N4STR+(10.530+/ (652.847+/-600.155) N5CHARGE-(24853.897+/ n = 12 R2= 0.929 F= 23.087 The excellent ... See full document

... biological activity (antibacterial and Antifungal) of the compounds in concern as well as focusing on the most chief descriptors affecting the biological ... See full document

... synthesize some novel thiazole derivatives with various substitutions at along with heterocyclic rings in the same framework for synergistic ...& QSAR studies of the new title ...antioxidant ... See full document

... This study comprises a chemical structure database of reported eighteen benzodifuran ...reported activity data has been used for subsequent QSAR analyses as the response ... See full document

... The relative importance of the molecu- lar descriptors can be discerned from the regression coefficient values from the QSAR question of model 5. The molecular descriptors listed in order of decreasing im- ... See full document

... Steric and electrostatic contour maps representing the CoMFA model for cytotoxic activity on L6 168. rat skeletal myoblasts[r] ... See full document

... Several Topological, Connectivity, Shape indices, Hydrophobic and Thermodynamic descriptors were generated to describe our samples. With whole molecule and three substituents, altogether 120 descriptors (independent ... See full document

... synthesized new chromene base heterocyclic thiazine from 2-amino-5-hydroxy-4-phenyl-7- methyl-4H[1-chromeno-3-carbonitrile; which showed a good biological activity 7 . The derivatives of 1,3 thiazines having N-C-S ... See full document

... 2D-QSAR study of 39 aryloxypropanolamine analogues having anticonvulsant activity was carried out using molecular modeling program ChemOffice ...for QSAR models with a small SEE indicated the ... See full document

... To study the QSAR of anthracycline analogues by using graph theoretical indices and physicochemical properties efforts have been made to derive a best mathematical model for the calculation of biological ... See full document

... antitumor activity against Daltons lymphoma ascites cells using in vitro and in vivo ...antitumour activity on Daltons lymphoma ascites ...3D QSAR study was performed using PHASE module of ... See full document

... biological activity of molecules ...biological activity of un-tested or un-synthesized compounds and to investigate the chemo-biological interactions involved in the system under study ... See full document

... Reported antimicrobial activity data in terms of MIC values were first converted into p(MIC) values and used as a dependent variable in the QSAR study. The different molecular descriptors ... See full document

... biological activity and the molecular structures are the two main aspects for the QSAR study of a specific compound, which leads to generate a new chemical ...Structure Activity Relationship ... See full document

... An attempt has been made to perform the quantitative structure-activity relationship studies of these derivatives utilizing theoretical molecular descriptors calculated computationally from the structure of these ... See full document

... in QSAR study are density and index of refraction, if found to be important in determining the activity, as it is predictive in electrophilic reactions of the drugs with the nucleophilic functions of ... See full document