Geometric Substructures Searching Three Dimensional

Van drie, J.H., Weininger, D., and Martin, Y.C. ALADDIN an integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures./. Comput.-Aided Mol. Des. 1998, 3, 225-251. 

ALADDIN An Integrated Tool for Computer-Assisted Molecular Design and Pharmacophore Recognition from Geometric, Stetic, and Substructure Searching of Three-Dimensional Molecular Structures. 

An important distinaion between ALADDIN and the other programs described in this section is that the user specifies at the time of the search the substructural environment of the atoms and the definition of the geometric objects. This is one key to its flexibility. Another distinction is its close tie to molecular graphics with not only the three-dimensional structure, but also the hit atoms identified for the graphics program. A final distinction is that it has provisions for automatically generating both the two-dimensional and three-dimensional structures of molecules proposed for synthesis. 

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