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Notations, ROSDAL SMILES

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]

Figure 9.7. Various linear notation schemes for chemical representation. Some contain only atom types and connectivity (WLN, ROSDAL, SMILES, SLN) and are chemist-readable. Others are compressed versions of molecule file formats (CHIME) and are meant for computer interpretation. Figure 9.7. Various linear notation schemes for chemical representation. Some contain only atom types and connectivity (WLN, ROSDAL, SMILES, SLN) and are chemist-readable. Others are compressed versions of molecule file formats (CHIME) and are meant for computer interpretation.
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]

Various line notations have been devised to depict accurately both the atomic content and the orientation of the compound. Much of the focus in creating notation systems has been geared toward computer input and manipulation of structures. Some of the well-known notations include Wiswes.ser (WLN), Dyson-IUPAC, Hayward, Skolnik, Gremas and more recently also SMILES, and ROSDAL. All of these systems require a detailed memorization of their rules and conventions and are limited strictly to the audience familiar with those rules. [Pg.1881]


See other pages where Notations, ROSDAL SMILES is mentioned: [Pg.294]    [Pg.480]    [Pg.2820]    [Pg.43]    [Pg.368]    [Pg.168]    [Pg.2818]    [Pg.81]   
See also in sourсe #XX -- [ Pg.318 , Pg.319 , Pg.320 , Pg.321 , Pg.322 , Pg.323 , Pg.324 ]




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