Computational topology design

Dubois, J.-E., Mercier, C. and Panaye, A. (1986). DARC Topological System and Computer Aided Design. Acta Pharm.Jugosl.,36,135-169. 

X. Hong, et al.. Comer block list an effective and efficient topological representation of non-slicing floorplan. In Proc. of Int l Conf. Computer Aided Design, 2000, pp. 8 - 12. 

The issues which will need to be addressed by scientific research are not entirely clear, but they will involve the characterisation of the topology and geometry of structures and the understanding of the mechanics of production processes and product performance. In order to interact with industrial technology, the fundamental studies will need to be linked to computer-aided design methods. 

Filters are combinations of microwave passive elements designed to have a specified frequency response. Typically, a topology of a filter is chosen based on established lumped element filter design theory. Then computer-aided design techniques are used to optimize the response of the circuit to the desired response. 

B and W J Howe 1991. Computer Design of Bioactive Molecules - A Method for Receptor-Based Novo Ligand Design. Proteins Structure, Function and Genetics 11 314-328. i H L 1965. The Generation of a Unique Machine Description for Chemical Structures - A hnique Developed at Chemical Abstracts Service. Journal of Chemical Documentation 5 107-113. J 1995. Computer-aided Estimation of Symthetic Accessibility. PhD thesis. University of Leeds, itan R, N Bauman, J S Dixon and R Venkataraghavan 1987. Topological Torsion A New )lecular Descriptor for SAR Applications. Comparison with Other Descriptors. Journal of emical Information and Computer Science 27 82-85. 

Blood-brain barrier permeation of 7, among other drugs, was predicted from its three-dimensional molecular structure by a computational method (0OJMC2204). The combination of molecular topological methods using 137 quinolones, including 7 provided an excellent tool for the design of new... 

Ivanov J, Karabunarliev S, Mekenyan O. 3DGEN a system for exhaustive 3D molecular design proceeding from molecular topology. J Chem Inf Comput Sci 1994 34 234-43. 

Talevi A. Bellera C.L. Di Ianni M. Duchowicz P.R. Bruno-Blanch L.E. Castro E.A. An Integrated drug development approach applying topological descriptors. Current Computer-Aided Drug Design, 2012, 8 (3), 172-181. 

TOMOCOMD-CARDD topological molecular computer design-computer aided rational drug design... 

PreADME Computer Aided Molecular Design Research Centre camd.ssu.ac.kr/adme (free, on-line calculations) Constitutional, topological, physicochemical, and geometrical descriptors. 

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