The holographic visualization of three-dimensional object geometry still represents a major challenge in computational holography research. Besides the development of suitable holographic display devices, the fast calculation of the hologram’s interference pattern for complex-shaped three-dimensional objects is an important pre-requisite of any interactive holographic display system. We present...

Comparative study was performed on 34 β-amino amide derivatives as dipeptidyl peptidase IV inhibitors in order to determine their structural requirement to enhance the antidiabetic activities. Hologram quantitative structure activity relationships models utilized specialized fragment fingerprints (hologram length 353) which showed good predictivity with cross-validated q(2) and conventional r(2...

Quantitative structure-activity relationship (QSAR) studies are useful computational tools often used in drug discovery research and in many scientific disciplines. In this study, a robust fragment-similarity-based QSAR (FS-QSAR) algorithm was developed to correlate structures with biological activities by integrating fragment-based drug design concept and a multiple linear regression method. S...

Several QSAR models have been developed using a linear optimization approach that enabled distinguishing metabolic substances isolated from human-, bacterial-, plant- and fungal- cells. Seven binary classifiers based on a k-Nearest Neighbors method have been created using a variety of 'inductive' and traditional QSAR descriptors that allowed up to 95% accurate recognition of the studied groups ...

Farnesyltranseferase inhibitors (FTIs) are one of the most promising classes of anticancer agents, but though some compounds in this category are in clinical trials there are no marketed drugs in this class yet. Quantitative structure activity relationship (QSAR) models can be used for predicting the activity of FTI candidates in early stages of drug discovery. In this study 192 imidazole-conta...

We describe an active millimeter-wave holographic imaging system that uses compressive measurements for three-dimensional (3D) tomographic object estimation. Our system records a two-dimensional (2D) digitized Gabor hologram by translating a single pixel incoherent receiver. Two approaches for compressive measurement are undertaken: nonlinear inversion of a 2D Gabor hologram for 3D object estim...

The quality of coherent images computed from digital holography or heterodyne array data is sensitive to phase errors of the reference and/or object beams. A number of algorithms exist for correcting phase errors in or very near the hologram plane. In the case of phase errors introduced a nonnegligible distance away from hologram plane, the resulting imagery exhibits anisoplanatism. A feature o...

Multiple view projection holography is a method to obtain a digital hologram by recording different views of a 3D scene with a conventional digital camera. Those views are digitally manipulated in order to create the digital hologram. The method requires a simple setup and operates under white light illuminating conditions. The multiple views are often generated by a camera translation, which u...

Recent advances in digital holography, optical engineering and computer graphics have opened up the possibility of full parallax, three dimensional displays. The premises of these rendering systems are however somewhat different from traditional imaging and video systems. Instead of rendering an image of the scene, the complete light distribution must be computed. In this thesis we discuss some...

objective(s): the structure- activity relationship of a series of 36 molecules, showing l-type calcium channel blocking was studied using a qsar (quantitative structure–activity relationship) method. materials and methods: structures were optimized by the semi-empirical am1 quantum-chemical method which was also used to find structure-calcium channel blocking activity trends. several types of d...