Vincent Zoete

Research topics

• Computational Drug Discovery Methods · 2 papers
• Analytical Chemistry and Chromatography · 2 papers
• Pharmacogenetics and Drug Metabolism · 1 paper
• Protein Structure and Dynamics · 1 paper
• Microbial Natural Products and Biosynthesis · 1 paper
• Biochemical Analysis and Sensing Techniques · 1 paper

Frequent co-authors

• Antoine Daina · 3 papers
• Olivier Alain Michielin · 2 papers

Papers

1. SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small moleculesScientific Reports · 2017 · 18,341 citations

   To be effective as a drug, a potent molecule must reach its target in the body in sufficient concentration, and stay there in a bioactive form long enough for the expected biologic events to occur. Drug development involves assessment of…

2. SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small moleculesNucleic Acids Research · 2019 · 4,628 citations

   SwissTargetPrediction is a web tool, on-line since 2014, that aims to predict the most probable protein targets of small molecules. Predictions are based on the similarity principle, through reverse screening. Here, we describe the 2019 version, which represents a major…

3. A BOILED‐Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small MoleculesChemMedChem · 2016 · 2,605 citations

   Apart from efficacy and toxicity, many drug development failures are imputable to poor pharmacokinetics and bioavailability. Gastrointestinal absorption and brain access are two pharmacokinetic behaviors crucial to estimate at various stages of the drug discovery processes. To this end, the…