May 23, 2014
3 MB
Any
Data/images/video
Diverse data sets of postives and negatives molregnos for activity with targets from ChEMBL
May 23, 2014
59 KB
Any
Data/images/video
Baseline dataset of targets (tids) from ChEMBL used for activity prediction.
These are the targets and datasets for used for my thesis project "Connecting features of drugs to molecular, cellular, and organismal phenotypes". The baseline data set contains all targets used from the ChEMBL activity database. The diverse data set contains 10 separate datasets of chemicals known to bind their targets and matched negatives with high ECFP similarity to the positives.
Downloads instructions and details
Downloads instructions and details
ghf-phd
Baseline targets and diverse activity sets.
initial release
May 23, 2014