BuiltWithNOF
SCORE - WTDWTR

WTDWTR (What To Do With This Reaction ?) is an improved version of the old SCORE program.
If we consider the syntheses published in the literature one can remark that a method largely used is to start from a given reaction : the chemist is familiar with a particular reaction (Diels-Alder, radical cascade, [2+2+2], de Mayo, etc.) and he searches for a structure in which it is possible to apply this reaction as the key-step in its synthesis.
WTDWTR is a new program in the field of computer-aided organic synthesis, it tries to answer to the following question : what kind of structures is it possible to obtain from a given reaction ?
Since cyclic structures are among the most important in organic chemistry, the aim of WTDWTR is to generate the cyclic structures which correspond to a given reaction. In a first approach only carbocyclic structures are generated.
WTDWTR was tested with the Diels-Alder reaction in the case of structures possessing four rings of size 6, 6, 6, 5 (“isomers” of steroid skeleton) for which WTDWTR generated 590 solutions.

30 - SCORE : a program to explore the SCOpe a given intramolecular REaction. How to find systematically the relevancy of a transform to various classes of structures. Application to the de Mayo reaction.
R. Barone, M. Arbelot and M. Chanon.
Tetrahedron Computer Methodology, 1988, 1, 3-14.

55WTDWTR : What To Do With This Reaction ?
R. Barone, M. Attolini, M. Arbelot, M. Chanon
Europ. J. Org. Chem., 2006, 22, 5184-5190.

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