Annotating and mining the ligand-target chemogenomics knowledge space

publication · 7 years ago
by Ansgar Schuffenhauer, Edgar Jacoby (Novartis Institutes for Biomedical Research)
Standardizer JChem Base
The ligand-target matrix is the core element of the chemogenomics knowledge space. Its content is derived from different chemical and biological data sources, which need to be integrated, and a large variety of molecular informatics tools available to mine it. Initial, although incomplete, approaches to assemble this knowledge space are reported together with their use in virtual screening. The existing relationship between the structural properties of ligands, especially when described with pharmacophore descriptors, and their biological activity has been demonstrated to be useful for drug discovery applications.
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