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ORCIDMarcel J. de Groot
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2000 – 2009
- 2007
[j5]Simone Sciabola, Iñaki Morao, Marcel J. de Groot:
Pharmacophoric Fingerprint Method (TOPP) for 3D-QSAR Modeling: Application to CYP2D6 Metabolic Stability. J. Chem. Inf. Model. 47(1): 76-84 (2007)- [j4]Yuan H. Zhao, Michael H. Abraham, Adam Ibrahim, Paul V. Fish, Susan Cole, Mark L. Lewis, Marcel J. de Groot, Derek P. Reynolds
:
Predicting Penetration Across the Blood-Brain Barrier from Simple Descriptors and Fragmentation Schemes. J. Chem. Inf. Model. 47(1): 170-175 (2007) - 2005
- [j3]Bernd Ehresmann, Marcel J. de Groot, Timothy Clark:
Surface-Integral QSPR Models: Local Energy Properties. J. Chem. Inf. Model. 45(4): 1053-1060 (2005) - 2004
- [j2]Bernd Ehresmann, Marcel J. de Groot, Alexander Alex, Timothy Clark:
New Molecular Descriptors Based on Local Properties at the Molecular Surface and a Boiling-Point Model Derived from Them. J. Chem. Inf. Model. 44(2): 658-668 (2004)
1990 – 1999
- 1998
- [j1]Marcel J. de Groot, Remco W. A. Havenith, H. Maarten Vinkers, Renate Zwaans, Nico P. E. Vermeulen, Joop H. van Lenthe:
Ab initio calculations on iron-porphyrin model systems for intermediates in the oxidative cycle of cytochrome P450s. J. Comput. Aided Mol. Des. 12(2): 183-193 (1998)
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