In this section focus is set on the molecular targets where the active molecules against BrCa models in the ChEMBL database have significant impact. We will tackle the question from the empirical point of view (i.e the ChEMBL recorded impact) and the predictive analysis, where predictions from machine learning algorithms will be used for target ID. Results will be further compared to determine whether the predictive analysis in the whole dataset affords any novelty upon the empirical annotations. Targets involved in killing particular BrCa cell lines will also be determined by hyerarchical clustering.
BRCA2 protein. By Filip em – self created from PDB entry with KiNG tool http://www.rcsb.org/pdb/cgi/explore.cgi?pdbId=1n0w, CC BY 2.0, https://commons.wikimedia.org/w/index.php?curid=3237307