نتایج جستجو برای: hologram qsar
تعداد نتایج: 5380 فیلتر نتایج به سال:
The light field is a 4D recording that includes the positional and directional information for incoming rays of an image. A hologram is a recording that reconstructs the complex wavefront of an image to include parallex and depth cues. We relate these two concepts using the Wigner distribution, and attempt to recreate a light field recorded scene using a phase only hologram.
We present a new method to numerically reconstruct images on a tilted plane by digital holography in Fourier configuration. The proposed technique is based on a quadratic deformation of spatial coordinates of the digital hologram. By this approach we demonstrate that it is possible to recover the extended focus image (EFI) of a tilted object in a single reconstruction step from the deformed hol...
Topological (2D) Fuzzy Pharmacophore Triplets (2DFPT), using the number of interposed bonds to measure separation between the atoms representing pharmacophore types, were employed to establish and validate Quantitative Structure-Activity Relationships (QSAR). Thirteen data sets for which state-of-the-art QSAR models were reported in literature were revisited in order to benchmark 2D-FPT biologi...
Off-axis digital holography typically uses a beam splitter to combine reference and object waves at an angle matched to the sampling period of the sensor array. The beam splitter determines the thickness of the recording system. This paper describes and demonstrates a total internal reflection hologram that replaces the beam splitter and enables hologram recording over a large aperture with a t...
The data have been obtained from the Sigma-2 Receptor Selective Ligands Database (S2RSLDB) and refined according to the QSAR requirements. These data provide information about a set of 548 Sigma-2 (σ2) receptor ligands selective over Sigma-1 (σ1) receptor. The development of the QSAR model has been undertaken with the use of CORAL software using SMILES, molecular graphs and hybrid descriptors (...
Cinnamaldehyde, of the genius Cinnamomum, is a major constituent of the bark of the cinnamon tree and possesses broad-spectrum antimicrobial activity. In this study, we used best multiple linear regression (BMLR) to develop quantitative structure activity relationship (QSAR) models for cinnamaldehyde derivatives against wood-decaying fungi Trametes versicolor and Gloeophyllun trabeum. Based on ...
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...
A new drug design method, the multiple field three-dimensional quantitative structure-activity relationship (MF-3D-QSAR), is proposed. It is a combination and development of classical 2D-QSAR and traditional 3D-QSAR. In addition to the electrostatic and van der Waals potentials, more potential fields (such as lipophilic potential, hydrogen bonding potential, and nonthermodynamic factors) are in...
A Kohonen self-organizing map (SOM) is used to classify a data set consisting of dihydrofolate reductase inhibitors with the help of an external set of Dragon descriptors. The resultant classification is used to generate training, cross-validation (CV) and prediction sets for QSAR modeling using the ADAPT methodology. The results are compared to those of QSAR models generated using sets created...
In this paper the Multi-linear regression analysis has been applied for QSAR study. The relationship has been worked out between the Log 1/C values of a series of compounds and certain quantum chemical and energy descriptors. The QSAR studies of Triazines inhibiting dihydrofolate reductase based on quantum chemical and energy descriptors shows that among all the 28 QSAR models PA51 to PA 78, th...
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