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Selected publications
We are dedicated to remaining at the cutting edge of research in our field, and hence devote time to publish articles.
Hereafter, we propose a very small selection of our works. More detailed lists can be found in the "list of publication and communications" of our founders, Prof. J.R. Chrétien and Dr. M. Pintore.
However, only part of our expertise is shown in the articles below since most of our clients ask us not to publish on our assignments.
ADME and pharmaceutical targets
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M. PINTORE, H.V de WATERBEEMD, N. PICLIN, J.R. CHRETIEN,
Prediction of oral bioavailability by Adaptive Fuzzy Partitioning,
Eur. J. Med. Chem. 38 (2003) 427-431.
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N. PICLIN, M. PINTORE, C. WECHMAN, J.R. CHRETIEN,
Classification of a large anticancer data set by Adaptive Fuzzy Partition,
J. Comp.-Aided Mol. Design. 18 (2004) 577-586.
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F. ROS, O. TABOUREAU, M. PINTORE, J.R. CHRETIEN,
Development of CNS predictive models by Adaptive Fuzzy Partitioning,
Chemom. Intell. Lab. Syst. 67 (2003) 29-50.
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P. BERNARD, J.Y. BERTHON, J.R. CHRETIEN,
A Molecular
Modeling and 3D QSAR study of a large series of Indole Inhibitors of Human Non-pancreatic
Secretory Phospholipase A2,
Eur. J. Med. Chem. 36 (2001) 1-19.
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P. BERNARD, D.B. KIREEV, J.R. CHRÉTIEN, P.L. FORTIER, L.
COPPET,
Automated Docking of 82 N-benzylpiperidine Derivatives to Mouse Acetylcholinesterase
and Comparative Molecular Field Analysis with "Natural" Alignment,
J. Comput.-Aided Mol.
Design. 13 (1999) 355-371.
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D.B. KIREEV, J.R. CHRÉTIEN, D.S. GRIERSON, C. MONNERET,
3D
QSAR Related to Conformational Changes for a Series of Anti-HIV1 HEPT Analogues,
J. Med.
Chem. 40 (1997) 4257-4264.
Toxicity and eco-toxicity
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P. BERNARD, D.B. KIREEV, M. PINTORE, J.R. CHRETIEN, P.L. FORTIER, D. FROMENT,
A Protein-Based Alignment 3D QSAR model of Stereospecific Organophosphorous Inhibitors of Acetylcholinesterase,
J. Mol. Model. 6 (2000)
618-629.
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M. PINTORE, N. PICLIN, E. BENFENATI, G. GINI, J.R.
CHRETIEN,
Database mining with adaptive fuzzy partition (AFP): Application to the prediction
of pesticide toxicity on rats,
Environmental Toxicology and Chemistry 22 (2003)
983-991.
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M. PINTORE, N. PICLIN, E. BENFENATI, G. GINI, J.R.
CHRETIEN,
Predicting toxicity against the fathead minnow by Adaptive Fuzzy Partition,
QSAR Comb. Sci. 22 (2003) 210-219.
Sensory analysis
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M. PINTORE, K. AUDOUZE, F. ROS, J.R. CHRETIEN,
Adaptive Fuzzy Partition in data base mining: application to olfaction,
Data Science Journal 1 (2002) 99-110.
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K. AUDOUZE, F. ROS, M. PINTORE, J.R. CHRETIEN,
Fuzzy
Partition of Self Oganizing Maps (SOM) applied to Olfaction,
Analusis / Eur. J. Anal. Chem. 28 (2000) 625-632.
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J.R. CHRETIEN, J.C. DORE,
Chimiométrie et Arômes,
Analusis 25 (1997) 35-37.
Proprietary software
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F. ROS, O. TABOUREAU, M. PINTORE, J.R. CHRETIEN,
Development of CNS predictive models by Adaptive Fuzzy Partitioning,
Chemom. Intell. Lab. Syst. 67 (2003) 29-50.
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F. ROS, M. PINTORE, J.R. CHRETIEN,
Molecular description selection combining genetic algorithms and fuzzy logic: application to database mining procedures,
Chemom. Intell. Lab. Syst. 63 (2002) 15-26.
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M. PINTORE, O. TABOUREAU, F. ROS, J.R. CHRETIEN,
Database
mining applied to central nervous system (CNS) activity,
Eur. J. Med. Chem. 36 (2001) 349-359.
Data Mining / Virtual Screening / Molecular Modeling
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M. PINTORE, J.R. CHRETIEN,
Advances in virtual High
Throughput Screening (v-HTS),
Med. Chem. Res. 13 (2004) 578-589.
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J.R. CHRETIEN,
Boosting Chemometrics in Europe,
Chemom. Intell. Lab. Syst. 67 67 (2003) 1-2.
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J.R. CHRETIEN,
Efficiency control in drug discovery,
Current Drug Discovery (2001) 25-27.
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A. GOLBRAIKH, P. BERNARD, J.R. CHRETIEN,
Validation of protein-based alignment in 3D Quantitative Structure-Activity Relationship with CoMFA models,
Eur. J. Med. Chem. 35 (2000) 123-136.
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