Firstly, we assume that the ranking of documents by relevance to a given reaction is independent of other reactions in the pathway, and we consider a single reaction at a time.
Knockout set: the set of reactions globally affected by the knockout of a given reaction.
Consequently, high-throughput experimentation allows the discovery of new catalysts for a given reaction by shortening considerably the catalyst optimisation time.
> The queries are generated from a given reaction by applying a series of rules; these use information such as the reaction type, reactants, products, modification type and modifiers, as well as the states of the reactants and products.
This method requires the molecular properties of the "basis products," which are the products formed by combining all the reactants for a given reaction component with the simplest set of complementary reactant partners.
To overcome the disadvantages of the aforementioned methods, the pathway prediction systems were established by combining the given reaction mechanisms and the starting and target compounds [ 11- 13].
Elementary networks are defined by the condition that a specific chemical conversion can be performed by a set of given reactions and that this ability will be lost by elimination of any of these reactions.
Furthermore, it is possible to augment the given reaction set by user-defined reactions, for example, for model augmentation.
This module can be used to reconstruct the artificial chemistry defined by a given set of reaction equations written in reaction SMILES format (Weininger, 1988).
A potential game [23] is a normal form game wherein any change in the utility enjoyed by a given player in reaction to a unilateral (i.e., assuming that the other players do not change their strategies) change of strategy by that player is reflected by a similar change in a global function, that is usually referred to as potential function.
