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After confirming the usefulness of our method, we conducted a comprehensive prediction of interactions between all possible compounds and proteins for the four classes of target proteins studied: enzymes, ion channels, GPCRs and nuclear receptors.
> -wrap-foot> After confirming the usefulness of our method we conducted a comprehensive prediction of interactions between all possible compounds and proteins for the four classes of target proteins studied: enzymes, ion channels, GPCRs and nuclear receptors.
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Drug candidates make up a small portion of all possible compounds.
The untargeted approach gathers data on all possible compounds.
This procedure was repeated three times on the same plant material to ensure that all possible compounds were extracted.
We used all possible compound-protein pairs excluding positive examples as negative examples.
Considering the distinction of forward and backward reactions, the number of all possible compound pairs is n(n−1) =, where n is the number of compounds.
Considering these, the number of all possible compound pairs is n(n 1) = O(n), where n is the number of compounds.
Having confirmed the usefulness of our method, we conducted a comprehensive reaction prediction for all possible compound pairs.
In recent years, the field of chemogenomics has rapidly gained importance, primarily exploring the relationship between the chemical space of possible compounds and the genomic space of possible proteins (Dobson, 2004; Kanehisa et al., 2006; Stockwell, 2000).
In the final part of this article, we predicted interactions between all possible target candidate proteins and drug candidate compounds.
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