Hi, Silicos-it is pleased to announce the release of its renewed website (www.silicos-it.com) from which 5 open source packages (LGPL license) can be downloaded: - Filter-it is a program for filtering molecules with unwanted properties out of a set of molecules. The program comes with a number of pre-programmed molecular properties that can be used for filtering. - Strip-it is a tool to extract molecular scaffolds according predefined rules. - Align-it is a pharmacophore-based tool to align small molecules. The tool is based on the concept of modeling pharmacophoric features by Gaussian 3D volumes instead of the more common point or sphere representations. The smooth nature of these continuous functions has a beneficent effect on the optimisation problem introduced during alignment. - Shape-it is a shape-based alignment tool by representing molecules as a set of atomic Gaussians. The software is based on the method described by Grant and Pickup (J. Phys. Chem. 1995, 99, 3503). - Som-it has been developed with the purpose to analyse R-generated SOM maps derived from extreme large datasets. The current package comprises a single tool for the projection and analysis of self-organising maps that were generated using R. The first four tools are build on top of OpenBabel, while Som-it is a tool to be used in combination with R. With kind regards, Hans  www.silicos-it.com A division of Imacosi bvba De Roskam 35, 2970 Schilde Belgium |
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