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Molecule, design search algorithm

Comparative Molecular Field Analysis (CoMFA) Conformational Flexibility in 3D Structure Searching Conformational Search Medium-sized Molecules Conformational Search Proteins Genetic and Evolutionary Algorithms Molecular Docking and Structure-based Design Shape Analysis Structural Similarity Measures for Database Searching Structure and Substructure Searching Structure Databases. [Pg.1697]

Current research trends indicate that the development of new representation schemes and search algorithms will continue (a) in support of combinatorial library design and manipulation (b) targeting small molecule and macromolecular 3D structural data and (c) other novel chemical IR concepts which are unknown at present. Improved search performance is inevitable and necessary, since the size of chemical databases will continue to increase. These enhancements will be a consequence of algorithm design, improved data representation, and faster computer hardware. [Pg.2784]

See other pages where Molecule, design search algorithm is mentioned: [Pg.703] [Pg.27] [Pg.62] [Pg.58] [Pg.128] [Pg.368] [Pg.128] [Pg.138] [Pg.57] [Pg.274] [Pg.274] [Pg.258] [Pg.341] [Pg.931] [Pg.281] [Pg.252] [Pg.12] [Pg.485] [Pg.501] [Pg.687] [Pg.283] [Pg.145] [Pg.9] [Pg.581] [Pg.154] [Pg.324] [Pg.230] [Pg.520] [Pg.1134] [Pg.2167] [Pg.2988] [Pg.9] [Pg.661] [Pg.186] [Pg.240] [Pg.124] [Pg.325] [Pg.328] [Pg.57] [Pg.154] [Pg.186] [Pg.164] [Pg.81] [Pg.88] [Pg.297] [Pg.460] [Pg.50] [Pg.127] [Pg.64]

See also in sourсe #XX -- [ Pg.271 , Pg.272 , Pg.273 , Pg.274 , Pg.275 , Pg.276 , Pg.277 , Pg.278 , Pg.279 , Pg.280 , Pg.281 , Pg.282 ]

See also in sourсe #XX -- [ Pg.271 , Pg.272 , Pg.273 , Pg.274 , Pg.275 , Pg.276 , Pg.277 , Pg.278 , Pg.279 , Pg.280 , Pg.281 , Pg.282 ]

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Algorithms, searching

Design algorithms