The pharmacokinetic compound behavior is related to its effectiveness and therefore it is fundamental for the drug discovery. The understanding of how to optimize compounds according to multiple simultaneous criteria is a great advantage to center + design efforts.VolSurf creates 128 molecular descriptors of the molecular interaction 3D Fields (TMI), produced by our software GRID, that are particularly excellent for prediction ADME and also easy to interpret. An example would be the moment descriptor energy of interaction between the hydrophobic regions and hydrophilias, which is important for the prediction of the permeability of the membrane. These can be used with proportionate quimiométricas tools to construct to statistical + models.VolSurf also comes with a series of models that we have developed with as much public as the pharmaceutical data, including the passive absorption intestinal, hematoencefálica barrier permeability, the solubility, the union to proteins, the volume of distribution and stability. To metabolic more complete description of the original method VolSurf and derived models he is available in the section of references. Characteristics: - To calculate pertinent descriptors ADME and to realise statistical models from experimental datas - To predict the behavior of new compounds based on new models or already established ADME - Interactively boceto structural modifications to optimize the ideas based on multiple criteria - It selects compounds with properties ADME to a consultation structure.

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