Projects

Antagonists at the 5HT1B receptor

Chem4Word

Dial-a-Molecule

Prediction of Metabolism - MetaPrint2D

Protein Flexibility in Ligand Docking

Complexity - Emergent properties of molecules

Semantic Patent Analysis

Apelin/APJ GPCR

PhysChem Properties of Inhaled Drugs

Combining computation, information and experiment: formation of polyurethane foams

Skin irritation

Skin Tanning and Lightening

New mathematics for informatics

CLARION

NMR simulation

Synthesis of Dolabriferol

RInChI

Ami

OREChem

OSCAR and OSCAR-CheBI

CheTA

Computational Toxicology

Machine Learning Techniques for the Prediction of phospholipidosis

A computational Framework for Metabolism