10.2 The MOGADOC Database
267
Fig. 10.1 Search mask in the bibliographic part (MGDLIT) of the MOGADOC database with
retrieval for adenine studied by Vogt et al. (only one reference is shown)
substances without carbon all element symbols are given in alphabetical order. For
example, the sum formula for organic molecule thymine is written as C 5 H 6 N 2 O 2 ; for
inorganic molecules such as complex carbon monoxide–dibromine (1/1), the sum
formula is given in the same manner, namely CBr 2 O. However, as for all inorganic
molecules without carbon atom(s), the sum formula of erbium trichloride is written
in Hill system as Cl 3 Er.
Very often, the retrieval by means of sum formula is ambiguous. For instance,
three isomers will be found in the database with the same sum formula C 5 H 6 N 2 O 2 ,
namely 1-, 5-, and 6-methyl-2,4(1H,3H)-pyrimidinedione (see Fig. 10.3).
Very convenient retrievals of substances can be carried out by means of graphical
structural formulae. The top row of the search mask is linked to a molecular structure
editor. By means of this editor (see Fig. 10.4), the user can draw structural formulae
in the conventional way. The connectivity tables of the drawn structural formulae
are automatically transferred to the search mask and can be searched either in the
exact mode (the retrieved structural formulae exactly agree with the submitted query
267
Fig. 10.1 Search mask in the bibliographic part (MGDLIT) of the MOGADOC database with
retrieval for adenine studied by Vogt et al. (only one reference is shown)
substances without carbon all element symbols are given in alphabetical order. For
example, the sum formula for organic molecule thymine is written as C 5 H 6 N 2 O 2 ; for
inorganic molecules such as complex carbon monoxide–dibromine (1/1), the sum
formula is given in the same manner, namely CBr 2 O. However, as for all inorganic
molecules without carbon atom(s), the sum formula of erbium trichloride is written
in Hill system as Cl 3 Er.
Very often, the retrieval by means of sum formula is ambiguous. For instance,
three isomers will be found in the database with the same sum formula C 5 H 6 N 2 O 2 ,
namely 1-, 5-, and 6-methyl-2,4(1H,3H)-pyrimidinedione (see Fig. 10.3).
Very convenient retrievals of substances can be carried out by means of graphical
structural formulae. The top row of the search mask is linked to a molecular structure
editor. By means of this editor (see Fig. 10.4), the user can draw structural formulae
in the conventional way. The connectivity tables of the drawn structural formulae
are automatically transferred to the search mask and can be searched either in the
exact mode (the retrieved structural formulae exactly agree with the submitted query