Substructure search (SSS) is a method to retrieve from a database only those chemicals matching a pattern of atoms and bonds which a user specifies. It...
29 KB (3,237 words) - 12:35, 9 December 2024
Microsoft's Power Query MQL is a cheminformatics query language for a substructure search allowing beside nominal properties also numerical properties; MDX...
8 KB (928 words) - 20:40, 5 December 2024
Chemical database (section Substructure)
support for substructure search, a method to retrieve chemicals matching a pattern of atoms and bonds which a user specifies. This kind of search is achieved...
27 KB (2,767 words) - 18:53, 29 November 2024
to identify scaffold hopping ligands. Me-too compound Drug design Substructure search Ternary compound Johnson, A. M.; Maggiora, G. M. (1990). Concepts...
8 KB (849 words) - 14:36, 4 August 2024
In computer science, a problem is said to have optimal substructure if an optimal solution can be constructed from optimal solutions of its subproblems...
6 KB (742 words) - 00:21, 15 July 2024
composed of one page that serves one purpose Solid-state storage Substructure search, a method to retrieve from a database chemicals matching a given...
5 KB (641 words) - 01:14, 25 October 2024
compounds from their structural formula; often in this area the term substructure search is used. A query structure is often defined graphically using a structure...
15 KB (1,847 words) - 19:00, 10 November 2024
Strehmel N, Selbig J, Walther D, Kopka J (2010). "Decision tree supported substructure prediction of metabolites from GC-MS profiles". Metabolomics. 6 (2):...
63 KB (1,795 words) - 04:54, 17 December 2024
Chemical graph generator Simplified molecular-input line-entry system Substructure search IUPAC, Compendium of Chemical Terminology, 2nd ed. (the "Gold Book")...
4 KB (538 words) - 13:07, 5 August 2024
chemical expert system interconversion of many chemical file formats substructure search, based on simplified molecular-input line-entry system (SMILES) fingerprint...
7 KB (573 words) - 16:06, 28 November 2024
options for chemical compounds such as exact structure search, substructure search and Markush search. Users can draw formulas, use commercial and common...
12 KB (1,162 words) - 14:02, 4 August 2024
Greedy algorithm (redirect from Greedy search)
stage's algorithmic path to the solution. Optimal substructure "A problem exhibits optimal substructure if an optimal solution to the problem contains optimal...
16 KB (1,778 words) - 17:37, 3 July 2024
molecule editor and generator 3D geometry generation ring finding substructure search using exact structures and Smiles arbitrary target specification...
14 KB (1,310 words) - 14:21, 4 August 2024
generators, GENOA is a constructive substructure search-based algorithm, and it assembles different substructures by also considering the overlaps. The...
28 KB (5,053 words) - 19:09, 26 September 2024
separated by a helper construct. Chemical expert system Query and substructure search (based on Simplified molecular-input line-entry system (SMARTS),...
4 KB (258 words) - 14:20, 4 August 2024
the Chemisches Zentralblatt by performing chemical structure and substructure searches. Since 2016, Chemisches Zentralblatt is available on the web via...
4 KB (398 words) - 23:21, 31 August 2024
the following insight: the static optimality problem exhibits optimal substructure; that is, if a certain tree is statically optimal for a given probability...
19 KB (2,965 words) - 17:19, 6 May 2024
optimal solutions to the sub-problems, then it is said to have optimal substructure. If sub-problems can be nested recursively inside larger problems, so...
61 KB (9,282 words) - 00:43, 6 December 2024
; Söding J.; Steinegger M. (2023). "Fast and accurate protein structure search with Foldseek" (PDF). Nature Biotechnology. 42 (2): 243–246. doi:10...
30 KB (782 words) - 23:30, 16 November 2024
incorporation of new functionalities (e.g. chemical similarity and substructure searches in release 4), major data updates to keep the database in sync with...
7 KB (597 words) - 14:34, 4 August 2024
279–283 ISSN 0001-0782 [2] Feldman, Alfred; Hodes, Louis (1979). "Substructure Search with Queries of Varying Specificity". Journal of Chemical Information...
9 KB (583 words) - 12:15, 31 October 2024
field of combinatorics that focuses on the appearance of order in a substructure given a structure of a known size. Problems in Ramsey theory typically...
9 KB (1,143 words) - 05:04, 16 December 2024
Dark matter halo (section Halo substructure)
virialized dark matter halo with an ellipsoidal shape, which reveals some substructure in the form of dark matter sub-halos. The use of CDM overcomes issues...
22 KB (2,837 words) - 19:15, 17 July 2024
delays in obtaining congressional funding meant that only the three-story substructure was complete by 1970. Work on the superstructure began in May 1971. These...
77 KB (9,462 words) - 03:20, 19 December 2024
specifying substructural patterns in molecules. The SMARTS line notation is expressive and allows extremely precise and transparent substructural specification...
14 KB (1,749 words) - 23:56, 4 October 2024
a dome, through intense hydrothermal activity through the fractured substructure. This can form cuestas over time through the differential erosion of...
23 KB (2,372 words) - 14:18, 20 December 2024
Star Trek III: The Search for Spock suggested that the Genesis effect was a result of a newly discovered rishon-like substructure to matter. Science fiction...
6 KB (650 words) - 03:10, 11 April 2024
the last one inside this substructure leave; // closing the substructure ADDRESS_SENDER ... leave; // closing the substructure INVOICE Pseudocode to extract...
8 KB (994 words) - 23:03, 27 February 2024
Constraint programming (section Backtracking search)
optimal solutions to the sub-problems, then it is said to have optimal substructure. The syntax for expressing constraints over finite domains depends on...
17 KB (2,320 words) - 16:06, 11 October 2024
to be elementary particles because they have no known components or substructure. The electron's mass is approximately 1/1836 that of the proton. Quantum...
154 KB (15,572 words) - 17:45, 17 December 2024