Scientific publications
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cytochrome
Terfloth L, Bienfait B, Gasteiger J. "Ligand-Based Models for the Isoform Specificity of Cytochrome P450 3A4, 2D6, and 2C9 Substrates." J. Chem. Inf. Model.. 2007;47(4):1688-1701. Abstract

isoCYP

COSMETIC INGREDIENTS LNVENTORY
Anzali S, Berthold MR, Fioravanzo E, et al. "Development of computational models for the risk assessment of cosmetic ingredients." IFSCC Magazine. 2012;15:249-255. Abstract
Conformations
Renner S, Schwab CH, Gasteiger J, Schneider G. "Impact of Conformational Flexibility on Three-Dimensional Similarity Searching Using Correlation Vectors." Journal of Chemical Information and Modeling. 2006;46(6):2324-2332.

CORINA, ROTATE

Schwab CH. "Conformations and 3D pharmacophore searching." Drug Discovery Today: Technologies. 2010;7(4):e245-e253. Abstract

CORINA, ROTATE

conformational analysis
Renner S, Schwab CH, Gasteiger J, Schneider G. "Impact of Conformational Flexibility on Three-Dimensional Similarity Searching Using Correlation Vectors." Journal of Chemical Information and Modeling. 2006;46(6):2324-2332.

CORINA, ROTATE

Schwab CH. "Conformations and 3D pharmacophore searching." Drug Discovery Today: Technologies. 2010;7(4):e245-e253. Abstract

CORINA, ROTATE

COMPUTATIONAL MODELS
Anzali S, Berthold MR, Fioravanzo E, et al. "Development of computational models for the risk assessment of cosmetic ingredients." IFSCC Magazine. 2012;15:249-255. Abstract
Comparative Molecular Field Analysis (CoMFA)
Moro S, Bacilieri M, Ferrari C, Spalluto G. "Autocorrelation of molecular electrostatic potential surface properties combined with partial least squares analysis as alternative attractive tool to generate ligand-based 3D-QSARs." Curr. Drug Disc. Tech.. 2005;2:13-21. Abstract

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