Biological annotation

Machine learning models derived from biologically annotated databases (e.g. MDDR, WDI)... 

Annotation can take one of two main forms - biological annotation, which is the assignment of specific biological properties to known active compounds, and chemical/structural annotation, which will be the only focus of this chapter. 

Annotation exchange of biological annotations, (hi genetics, the process of identilying the... 

The more subtle, but potentially more exciting, consequence of such multidimensional data analysis is the superposition of biological annotations onto a collection of measurements, allowing connections between the biological coordinates to be made independently of the measurements themselves. As we have seen in this chapter, there are specific relationships between various calculated molecular descriptors, based on the theory of their construction or on their relationships to molecular properties such as size and shape. Similarly, there are implicit encodable relationships between the different assays that comprise any multidimensional fingerprint of assay outcomes, such as combinations of cell states and cellular assays (Fig. 13.1-7(c)). Exploiting such relationships across diverse collections of small molecules indeed may uncover new relationships between the biological states themselves. 

Table 6.1 Ligand Databases with Biological Annotations...

Knowledge-driven dimensionality reduction according to the biological annotation of genes may be... 

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