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...

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...

Microsoft's Power Query MQL is a cheminformatics query language for a substructure search allowing beside nominal properties also numerical properties; MDX...

Strehmel N, Selbig J, Walther D, Kopka J (2010). "Decision tree supported substructure prediction of metabolites from GC-MS profiles". Metabolomics. 6 (2):...

In computer science, a problem is said to have optimal substructure if an optimal solution can be constructed from optimal solutions of its subproblems...

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...

to identify scaffold hopping ligands. Me-too compound Drug design Substructure search Ternary compound Johnson, A. M.; Maggiora, G. M. (1990). Concepts...

composed of one page that serves one purpose Solid-state storage Substructure search, a method to retrieve from a database chemicals matching a given...

the following insight: the static optimality problem exhibits optimal substructure; that is, if a certain tree is statically optimal for a given probability...

options for chemical compounds such as exact structure search, substructure search and Markush search. Users can draw formulas, use commercial and common...

Chemical graph generator Simplified molecular-input line-entry system Substructure search IUPAC, Compendium of Chemical Terminology, 2nd ed. (the "Gold Book")...

the Chemisches Zentralblatt by performing chemical structure and substructure searches. Since 2016, Chemisches Zentralblatt is available on the web via...

chemical expert system interconversion of many chemical file formats substructure search, based on simplified molecular-input line-entry system (SMILES) fingerprint...

generators, GENOA is a constructive substructure search-based algorithm, and it assembles different substructures by also considering the overlaps. The...

stage's algorithmic path to the solution. Optimal substructure "A problem exhibits optimal substructure if an optimal solution to the problem contains optimal...

separated by a helper construct. Chemical expert system Query and substructure search (based on Simplified molecular-input line-entry system (SMARTS),...

molecule editor and generator 3D geometry generation ring finding substructure search using exact structures and Smiles arbitrary target specification...

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...

optimal solutions to the sub-problems, then it is said to have optimal substructure. The syntax for expressing constraints over finite domains depends on...

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...

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...

; Söding J.; Steinegger M. (2023). "Fast and accurate protein structure search with Foldseek" (PDF). Nature Biotechnology. 42 (2): 243–246. doi:10...

incorporation of new functionalities (e.g. chemical similarity and substructure searches in release 4), major data updates to keep the database in sync with...

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...

279–283 ISSN 0001-0782 [2] Feldman, Alfred; Hodes, Louis (1979). "Substructure Search with Queries of Varying Specificity". Journal of Chemical Information...

and account for population substructure, but these methods can be difficult to apply in practice. Population substructure also can be used to advantage...

specifying substructural patterns in molecules. The SMARTS line notation is expressive and allows extremely precise and transparent substructural specification...

instance) may have substructure: that is, some of its attributes may represent other kinds of objects, which in turn may have substructure, to an arbitrary...

et al. used over 5,000 autosomal SNPs to demonstrate European genetic substructure. The results showed "a consistent and reproducible distinction between...

substructure analysis that was created in 1973. Each fragment substructure make a continuous contribution an activity of specific type. Substructure is...