Systematic enumeration

D.E. Akporiaye and G.D. Price, Systematic Enumeration of Zeolite Framework. Zeolites,... 

O.D. Friedrichs, Systematic Enumeration of Crystalline Networks. Nature (London), 1999, 400, 644-647. 

The field of infinite periodic minimal surfaces (IPMS), that was introduced a few decades ago for the analysis of the topology of crystal structures [41], is a different approach to the analysis of nets many common nets are related to the known intersection-free IPMS [42], The IPMS studies have also produced a systematic enumeration of nets that has been recently proposed by the EPINET project (Euclidean Patterns in Non-Euclidean Tilings, see http //epinet.anu.edu.au) instead of working directly in three dimensions, the intrinsic hyperbolic geometry of IPMS is used to map 2D hyperbolic patterns into 3D Euclidean space [43],... 

J. Mackay. A.L. Systematic enumeration of erystalline networks. Nature 1999, 400.644-647. 18. 

Ward, RA. and Ketde,J.G. (2011) Systematic enumeration of heteroaromatic ring systems as reagents for use in medicinal chemistry. Journal of Medicinal Chemistry, 54,4670-4677. 

Systematic enumeration of nanostructure generating mesoporous models... 

Incomplete enumeration is a quasi-static algorithm that generates a batch of SAWs from the variable-iV, variable-x ensemble (eq. (2.18)) with p = 0. The idea is to take a standard algorithm for systematically enumerating all self-avoiding walks up to some length Nmix, and modify it so that it pursues each branch of the SAW tree only with some probability / < 1 ... 

Figure 3 Structural alignments with discrete properties. Methods are based on discrete properties using the DG algorithm (1) or clique-detection (11) as implemented in distance comparisons (DISCO), and Apex-3D. The structure representation, based on discrete properties, resorts to one atomic descriptor (I), usually the atom type, or multiple atomic or site descriptors (II). In the first method (I), the conformational analysis is restricted to the generation of molecular geometries which allow a common arrangement of selected phaimacophoric moieties present in a rigid compound used as template. In the second method (II), the conformational analysis procedure may involve a systematic enumeration of all the possible conformadons for each ligand. The search similarity is directed towards the confirmation of a predefined pharmacophore postulated by the modeler or from some classical SAR in the case of the active analog approach (1), or the automated identification of pharmacophores and bioacdve conformations (II)...

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