نتایج جستجو برای: kNN-MFA

تعداد نتایج: 5394  

2011
Sanmati K. Jain Priyanka Sinha

A three dimensional quantitative structure activity relationship (3D QSAR) using k nearest neighbor molecular field analysis (kNN MFA) method was performed on a series of arylbenzofuran derivatives as H3-receptor antagonists. This study was performed with 29 compounds (data set) using sphere exclusion (SE) algorithm and random selection method for the division of the data set into training and ...

2013
Hari Singh Gaur Mukesh Chandra Sharma Dharm Veer Kohli

Three dimensional quantitative structure-activity relationship (3D-QSAR) studies have been performed on a series of 2-alkylbenzimidazole derivatives using the kNN-MFA Approach (k-nearest neighbour molecular field analysis). The QSAR models were generated using 14 compounds. By using kNN-MFA approach, various 3D QSAR models were generated to study the effect of steric and electrostatic descripto...

2012
Atanu Bhattacharjee Baphilinia Jones Mylliemngap Devadasan Velmurugan

A quantitative structure activity relationship (QSAR) study was performed on the fluroquinolones known to have anti-tuberculosis activity. The 3D-QSAR models were generated using stepwise variable selection of the four methods - multiple regression (MR), partial least square regression (PLSR), principal component regression (PCR) and artificial neural networks (kNN-MFA). The statistical result ...

Journal: :iranian journal of pharmaceutical research 0
jha kk a samad y kumar m shahryar rl khosa j jain

recently several 1,3,4-oxadiazole derivatives were identified as potentially active antimycobacterial agents. various 5-aryl-2-thio-1,3,4-oxadiazoles have been reported having good antimycobacterial activity against mycobacterium tuberculosis h37rv (atcc 27294). in this paper we report 3d qsar studies for the 41 molecules of 1,3,4-oxadiazoles by using k-nearest neighbor molecular field analysis...

2000
Michael J. Schulte Pablo I. Balzola Ahmet Akkas Robert W. Brocato

100 Integer Multiplication with Over ow Detection or Saturation Michael J. Schulte, Pablo I. Balzola, Ahmet Akkas, and Robert W. Brocato Abstract|High-speed multiplication is frequently used in general-purpose and application-speci c computer systems. These systems often support integer multiplication, where two n-bit integers are multiplied to produce a 2n-bit product. To prevent growth in wor...

Jha kk A Samad J Jain M Shahryar RL Khosa S Bansal Y Kumar

Recently several 1,3,4-oxadiazole derivatives were identified as potentially active antimycobacterial agents. Various 5-aryl-2-thio-1,3,4-oxadiazoles have been reported having good antimycobacterial activity against Mycobacterium tuberculosis H37Rv (ATCC 27294). In this paper we report 3D QSAR studies for the 41 molecules of 1,3,4-oxadiazoles by using k-Nearest Neighbor Molecular Field Analysis...

Jha kk A Samad J Jain M Shahryar RL Khosa S Bansal Y Kumar

Recently several 1,3,4-oxadiazole derivatives were identified as potentially active antimycobacterial agents. Various 5-aryl-2-thio-1,3,4-oxadiazoles have been reported having good antimycobacterial activity against Mycobacterium tuberculosis H37Rv (ATCC 27294). In this paper we report 3D QSAR studies for the 41 molecules of 1,3,4-oxadiazoles by using k-Nearest Neighbor Molecular Field Analysis...

2011
Vivek Kumar Vyas Manjunath Ghate Hitesh Katariya

BACKGROUND Apoptosis is known as programmed cell death that plays an important role in tumor biology. METHODS In this study, apoptosis-inducing activity is predicted by using a QSAR modeling approach for a series of 4-anilinoquinozaline derivatives. 2D-QSAR model for the prediction of apoptosis-inducing activity was obtained by applying multiple linear regression giving r2 = 0.8225 and q2 = 0...

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