Flexible searching

Flexible polyurethane foam, 19 559 Flexible printed circuits, 10 456 Flexible searches, 6 10-11 Flexible tube pumps, 21 74 Flexicoking (fluid coking), 18 651, 652 ... 

Clark, D.E., Willett, P. and Kenny, P. (1993). Pharmacophoric Pattern Matching in Files of Three-Dimensional Chemical Structures Implementation of Flexible Searching. J.Mol. Graphics, 11,146-156. 

Pharmacophoric pattern matching in files ofthree-dimensional chemical structures implementation of flexible searching. J. Mol. Graph., 11, 146-156. 

We have described how PubChem databases are integrated into Entrez, enabling detailed and flexible searches across the PubChem data however, Entrez is essentially a text search engine and is not amenable to more detailed chemical and bioassay data analysis. Such analysis must be handled by specialized applications. 

Following the early work of Willett and coworkers > and Sheridan et al., searching databases of 3-D structures of organic compounds has become an essential tool in the pharmaceutical industry. > 7 Results of 3-D flexible searching within databases of known compounds have proven this in a practical... 

Pharmacophoric Pattern Matching in Files of Three-Dimensional Chemical Structures Comparison of Conformational-Searching Algorithms for Flexible Searching. 

ChemDBS-3D uses rule-based systematic conformational analysis (single = 3, alpha 4, double/conjugated = 2 points) or random rule-based (max. time 2 min), or flexifit (no VDW bump check) ISIS/3D and UNITY use torsional minimization (conformationally flexible searching and directed tweak, respectively. 

D. E. Clark, G. Jones, and P. Vi illett, /. Chem. Inf. Comput. Set., 34, 197 (1994). Pha macophoric Panern Matching in Files of Three-Dimensional Chemical Structures Comparison of Conformational Searching Algorithms (or Flexible Searching. 

Integrated Scientific Information System for management of databases of 2D and 3D structures and associated properties on multiple platforms. PC (Windows), Macintosh, Fujitsu FMR, and NEC terminal support of ISIS/Draw and ISIS/Base ISIS/Desktop. Academic version of ISIS/Draw available from http //www.mdli.com/. ISIS SAR Table for outputting structure-activity data to Microsoft Excel. MACCS-II for managing and searching databases of 2D and 3D structures on a single platform. Fixed conformation and conforma-tionally flexible searching of 3D databases. Databases of structures three-... 

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