AIMB

These components or subproblems are prioritized to solve the largest, most rigid ring assemblies first. This will force an early fail, if fail we must. AIMB seeks the closest analogies to this subproblem present in the knowledge base. First it looks for... 

Figure 4. Input on E S PS330 of molecule to be modeled by AIMB.

Figure 5. AIMB evaluates relevance of bromocamphor compound to problem.

Figure 8. Superposition of AIMB model and result of MM2 refinement.

Although AIMB is a working prototype, we have many questions remaining to be answered. We would like to explore the detailed heuristics and study the effect of changing these on the final models constructed. We are interested in seeing how the size of the knowledge base is related to the quality of results and speed of operation. Finally, we would like to explore its application in areas where conventional methods simply can not be used. 

Chemical Design Ltd. has developed a 2D-to-3D builder of its own [27], which assembles fragments retrieved from a database similar to the AIMB program by Wipke and Hahn (see above). 

There are several important and critical steps in a CoMFA study [36, 38,957,958]. First, a group of compounds having a common pharmacophore is selected. Then three-dimensional structures of reasonable conformations must be generated from the 2D structures. Several 2D/3D conversion procedures are in use or have been described in literature, e.g. CONCORD [38, 959, 960], AIMB [961], WIZARD and COBRA [962—966], and CORINA [967]. Alternatively, 3D structures derived from crystallographic analyses or 2D NMR studies may be used. 

AIMBE American Institute for Medical Biologi- APP atactic polypropylene... 

---