• Thumbnail for Substructure search
    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
  • 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
  • Thumbnail for Chemical similarity
    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
  • Thumbnail for Optimal substructure
    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
  • Thumbnail for Molecular graph
    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
  • Thumbnail for Open Babel
    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
  • Thumbnail for Greedy algorithm
    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
  • Thumbnail for Chemistry Development Kit
    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
  • Thumbnail for Dynamic programming
    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
  • Thumbnail for TDR Targets
    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
  • Thumbnail for Dark matter halo
    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
  • Thumbnail for J. Edgar Hoover Building
    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
  • Thumbnail for Richat Structure
    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
  • 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
  • Thumbnail for Electron
    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