Marcel J. de Groot

According to our database, Marcel J. de Groot authored at least 5 papers between 1998 and 2007.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2007

Predicting Penetration Across the Blood-Brain Barrier from Simple Descriptors and Fragmentation Schemes.

Yuan H. Zhao, Michael H. Abraham, Adam Ibrahim, Paul V. Fish, Susan Cole, Mark L. Lewis, Marcel J. de Groot, Derek P. Reynolds

J. Chem. Inf. Model., 2007

Pharmacophoric Fingerprint Method (TOPP) for 3D-QSAR Modeling: Application to CYP2D6 Metabolic Stability.

Simone Sciabola, Iñaki Morao, Marcel J. de Groot

J. Chem. Inf. Model., 2007

2005

Surface-Integral QSPR Models: Local Energy Properties.

Bernd Ehresmann, Marcel J. de Groot, Timothy Clark

J. Chem. Inf. Model., 2005

2004

New Molecular Descriptors Based on Local Properties at the Molecular Surface and a Boiling-Point Model Derived from Them.

Bernd Ehresmann, Marcel J. de Groot, Alexander Alex, Timothy Clark

J. Chem. Inf. Model., 2004

1998

Ab initio calculations on iron-porphyrin model systems for intermediates in the oxidative cycle of cytochrome P450s.

Marcel J. de Groot, Remco W. A. Havenith, H. Maarten Vinkers, Renate Zwaans, Nico P. E. Vermeulen, Joop H. van Lenthe

J. Comput. Aided Mol. Des., 1998