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CRESSET BMD FIELDALIGN 1.0.2

::::::English Description:::::: FieldAlign is a smart molecular alignment tool for modellers and medicinal chemists. Given a 3D template molecule, it can align other molecules entered in 2D to that template rapidly and in a biologically-relevant manner. The template would commonly be an active molecule (or set of molecules) in its bioactive conformation. The template molecule could be obtained from a FieldTemplater?alignment hypothesis, a ligand extracted from the active site of a protein, docking or pharmacophore studies.FieldAlign is ideal for visual inspection of alignments of actives from different series and identifying shared field features or harmacophores,providing a qualitative indication of field SAR. FieldAlign is useful at the early stage of library design as small virtual libraries can be aligned to an...

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