Atoms symbols

The basic characters from which the notations are constructed comprise the upper-case letters A-Z of the alphabet, the numerals zero (symbolized 0) to nine (0-9), three punctuation marks hyphen (-), ampersand ( ) and oblique (/) and a blank space. Many of the normal atomic symbols such as B, F, P, 1, etc., are also employed unchanged but frequently occurring important elements and groups are assigned a single letter notation (e.g. chlorine sG ... 

The ROSDAL syntax is characterized by a simple coding of a chemical structure using alphanumeric symbols which can easily be learned by a chemist [14]. In the linear structure representation, each atom of the structure is arbitrarily assigned a unique number, except for the hydrogen atoms. Carbon atoms are shown in the notation only by digits. The other types of atoms carry, in addition, their atomic symbol. In order to describe the bonds between atoms, bond symbols are inserted between the atom numbers. Branches are marked and separated from the other parts of the code by commas [15, 16] (Figure 2-9). The ROSDAL linear notation is rmambiguous but not unique. 

Atomic symbols are usually written directly behind the index of an atom. 

Atoms Atoms a e represented by their atomic symbols. Ambiguous two-letter symbols (e.g., Nb is not NB) have to be written in square brackets. Otherwise, no further letters are used. Free valences are saturated with hydrogen atoms. 

Atoms Atoms are represented by their atomic symbols. The first letter is upperHydrogen atoms must be specified. 

Stereochemistry can also be expressed in the SMILES notation [113]. Depending on the clockwise or anti-clockwise ordering of the atoms, the stereocenter is specified in the SMILES code with or respectively Figure 2-78). The atoms around this stereocenter are then assigned by the sequence of the atom symbols following the identifier or (g). This means that, reading the SMILES code from the left, the three atoms behind the identifiers ( ) or ( )( )) describe the stereochemistry of the stereocenter. The sequence of these three atoms is dependent only on the order of writing, and independent of the priorities of the atoms. 

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