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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.
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ghf-phd
Baseline targets and diverse activity sets.
initial release
May 23, 2014

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May 23, 2014
3 MB
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Diverse data sets of postives and negatives molregnos for activity with targets from ChEMBL

May 23, 2014
59 KB
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Baseline dataset of targets (tids) from ChEMBL used for activity prediction.


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