The argent program system: A second-generation tool aimed at combinatorial search for new types of organic reactions. 1. Main concepts and potentialitiesстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:The main principles and prospects of ARGENT, a new software package for multistage reaction design on the basis of our Formal-Logical Approach to Organic Reactions, are presented. The distinctive features that make ARGENT a potentially versatile and efficient tool for finding new types of chemical interconversions are discussed. A general outline of the reaction hierarchy within the present-state Formal-Logical Approach is given, and a representation of this hierarchy by a multistage graph labeling technique is described. The basic principles of reaction design and their implementation in the program ARGENT-1 (the first executable module of the ARGENT system) are illustrated by several examples.