Insubria QSAR PaDEL-Descriptor model for prediction of Esters toxicity in Daphnia magna 1.2.Other related models: E.Papa, F. Battaini, P.Gramatica. Ranking of aquatic toxicity of esters modelled by QSAR, Chemosphere (58), 2005, 559-570.[9] 1.3.Software coding the model: [1]PaDEL-Descriptor 2.18 A software to calculate molecular descriptors and fingerprints http://padel.nus.edu.sg/software/padel...

B-Raf kinase is an important target in treatment of cancers. In order to design and find potent B-Raf inhibitors (BRIs), 3D pharmacophore models were created using the Genetic Algorithm with Linear Assignment of Hypermolecular Alignment of Database (GALAHAD). The best pharmacophore model obtained which was used in effective alignment of the data set contains two acceptor atoms, three donor atom...

A combinatorial quantitative structure-activity relationships (Combi-QSAR) approach has been developed and applied to a data set of 98 ambergris fragrance compounds with complex stereochemistry. The Combi-QSAR approach explores all possible combinations of different independent descriptor collections and various individual correlation methods to obtain statistically significant models with high...

Over the last 20 years, extensive QSAR studies establish an attractive approach to the elucidation of the modern drug chemistry. In the recent years, constant increase in the performance of hardware and software transformed quantitative structure activity relationship (QSAR) and quantitative structure property relationship (QSPR) into powerful and widely used model for the prediction of many bi...

A new method for document watermarking based on the digital Fourier hologram is proposed. It applies the methods of digital image watermarking based on holographic principle presented previously in several papers into printed documents. Experimental results show that the proposed method can not only meet the demand on invisibility, robustness and non-reproducibility of the document watermark, a...

We describe a modified confocal microscope in which depth discrimination results from matched filtering by a volume hologram instead of a pinhole filter. The depth resolution depends on the numerical aperture of the objective lens and the thickness of the hologram, and the dynamic range is determined by the diffraction efficiency. We calculate the depth response of the volume holographic confoc...

We propose a method of synthesizing computer-generated holograms of real-life three-dimensional (3-D) objects. An ordinary digital camera illuminated by incoherent white light records several projections of the 3-D object from different points of view. The recorded data are numerically processed to yield a two-dimensional complex function, which is then encoded as a computer-generated hologram....

We introduce a digital hologram generation of a real 3D object captured by a depth camera. The depth camera is employing a time multiplexed concept for color and depth image acquisition in a single chip sensor. The 3D information, point cloud, corresponding to the real scene, is extracted from taken image pairs, a gray texture and a depth map by a depth camera. The extracted point cloud is used...

We demonstrate a scheme for volume holographic storage based on the features of shift selectivity of a speckle reference-wave hologram. The proposed recording method permits more-efficient use of the recording medium and yields greater storage density than spherical or plane-wave reference beams. Experimental results of multiple hologram storage and replay in a photorefractive crystal of iron-d...