Open3DALIGN: an open-source software aimed at unsupervised ligand alignment. - Paolo Tosco; Thomas Balle; Fereshteh Shiri (J. Comput. Aided Mol. Des., 2011)

Brute-force pharmacophore assessment and scoring with Open3DQSAR. - Paolo Tosco; Thomas Balle (J. Cheminformatics, 2011)

G Protein- and Agonist-Bound Serotonin 5-HT2A Receptor Model Activated by Steered Molecular Dynamics Simulations. - Vignir Ísberg; Thomas Balle; Tommy Sander; Flemming Steen Jørgensen; David E. Gloriam (J. Chem. Inf. Model., 2011)

A 3D-QSAR-Driven Approach to Binding Mode and Affinity Prediction. - Paolo Tosco; Thomas Balle (J. Chem. Inf. Model., 2012)

CardioTox net: a robust predictor for hERG channel blockade based on deep learning meta-feature ensembles. - Abdul Karim; Matthew Lee 015; Thomas Balle; Abdul Sattar 001 (J. Cheminformatics, 2021)