Emerging Patents in the Therapeutic Areas of Glioma and Glioblastoma.

Conformal Regression for Quantitative Structure-Activity Relationship Modeling-Quantifying Prediction Uncertainty

Computer-aided design of multi-target ligands at A₁R, A_2AR and PDE10A, key proteins in neurodegenerative diseases.

Orthologue chemical space and its influence on target prediction

Fragment-Based Drug Discovery of Phosphodiesterase Inhibitors.

Improving Screening Efficiency through Iterative Screening Using Docking and Conformal Prediction

Modelling compound cytotoxicity using conformal prediction and PubChem HTS data

Virtual Screening for Transition State Analogue Inhibitors of IRAP Based on Quantum Mechanically Derived Reaction Coordinates.

Toward a Benchmarking Data Set Able to Evaluate Ligand- and Structure-based Virtual Screening Using Public HTS Data

Efficient and Selective Palladium-Catalysed C-3 Urea Couplings to 3,5-Dichloro-2(1H)-pyrazinones