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Notation Sybyl

In Sections 2,.3.1-2.3.4, only the four most popular line notations, Wiswesser (WLN), ROSDAL. SMILES, and Sybyl (SEN), arc discussed. Whereas WLN is now almost obsolete, SMILES is quite an important representation and is widely used (Figure 2-7). [Pg.23]

Chemical structures can be transformed into a language for computer representation via line notations such as ROSDAL, SMILES, Sybyl. [Pg.160]

Imports data in SD file format, MDL molfile format, SMILES text strings, Daylight Chemical Information Systems Inc. s Thor Data Tree (TDT) format, and Tripos Inc. s Sybyl Line Notation (SLN) format. [Pg.68]

Ash, S., M.A. Cline, R. Webster Homer, T. Hurst, and G.B. Smith. 1997. SYBYL Line Notation (SLN) a versatile language for chemical structure representation. J. Chem. Inf. Comput. Sci. 37 71-79. [Pg.98]

SLN—Sybyl Line Notation. Linear notation used in conjunction with Tripos SPL (Sybyl Programming Language) to manipulate chemical structures. It is similar in syntax to SMILES notation. [Pg.410]

Generic or Markush structures are a form of structural representation that can be used to encompass many individual molecules having common structural features. Figure 6.5 shows a simple example. They are particularly associated with chemical patents,but may also be used (often with a table of values for the R-groups) to represent sets of related molecules involved in structure - activity relationship studies, or large combinatorial libraries. The RGfile variant of the Molfile format can represent restricted forms of Markush structure, as can Sybyl line notation,and a variety of vendors have implemented ad hoc extensions (which have some Markush capabilities) to SMILES. [Pg.175]

Hie HOSE code represents a linear notation of a chemical structure. Other codes are ROSDAL, SYBYL, and SMILES. The latter code is currently the most popular linear notation. [Pg.280]

The SPL-Script csln create.spl for generating the combinatorial sybyl line notation (CSLN) ... [Pg.285]

A notation similar to SMILES is Sybyl Line Notation. It provides atom and bond attributes for tetrahedral and cis/trans stereogenic units. Internally, the system uses parities but it can automatically convert CIP (or Fischer) labels to this representation. [Pg.2733]

See other pages where Notation Sybyl is mentioned: [Pg.27]    [Pg.27]    [Pg.43]    [Pg.186]    [Pg.203]    [Pg.271]    [Pg.363]    [Pg.77]    [Pg.92]    [Pg.17]    [Pg.199]    [Pg.76]    [Pg.262]    [Pg.168]    [Pg.480]    [Pg.21]    [Pg.28]    [Pg.74]    [Pg.291]    [Pg.296]   
See also in sourсe #XX -- [ Pg.27 ]



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SYBYL

Sybyl Line Notation

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