Projects

Find here machine learning exercises published by drTarget so far.

Select phenotypic or target based screens

Latest effort! GLP-1 receptor positive allosteric modulators

Go to GLP-1 receptor positive allosteric modulators dataset

Wilbon & Kolonin. GLP1 Receptor Agonists-Effects beyond Obesity and Diabetes.

Phenotypic effect of predicted GLP1R positive allosteric modulators

additional machine learning studies

SMN2 for Spinal Muscular Atrophy

By Emw (Own work) [CC BY-SA 3.0 (https://creativecommons.org/licenses/by-sa/3.0) or GFDL (http://www.gnu.org/copyleft/fdl.html)], via Wikimedia Commons

SARS-COVID-19

By We Are Covert – We Are Covert, Copyrighted free use

Breast Cancer

MCF-7 breast cancer cell line (By Ian P Newton & Paul L Appleton – Own work, CC BY-SA 4.0, https://commons.wikimedia.org/w/index.php?curid=45221234)

P53 expression modulators

P53 DNA binding domain By Jawahar Swaminathan and MSD staff at the European Bioinformatics Institute [Public domain], via Wikimedia Commons

Augmenter of liver regeneration ALR for fibrosis and cancer

By Jawahar Swaminathan and MSD staff at the European Bioinformatics Institute – http://www.ebi.ac.uk/pdbe-srv/view/images/entry/1oqc600.png, displayed on http://www.ebi.ac.uk/pdbe-srv/view/entry/1oqc/summary, Public Domain, https://commons.wikimedia.org/w/index.php?curid=5902148

Cytotoxicity

DrTarget’s 2025 portfolio integrates over 500 new AI-powered virtual screening programs, leveraging data from 800+ PubChem bioassays. These programs enable the exploration of 2 million molecules across a diverse range of therapeutic areas, accelerating early-stage drug discovery.

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