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
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
Conformations and 3D pharmacophore searching." Drug Discovery Today: Technologies. 2010;7(4):e245-e253. Abstract
"CORINA, ROTATE
The application of a 3D-QSAR (autoMEP/PLS) approach as an efficient pharmacodynamic-driven filtering method for small-sized virtual library: Application to a lead optimization of a human A3 adenosine receptor antagonist." Bioorg. Med. Chem.. 2006;14(14):4923-4932. Abstract
"ADRIANA.Code
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
"ADRIANA.Code
Molecular properties of psychopharmacological drugs determining non-competitive inhibition of 5-HT3A receptors." Eur. J. Med. Chem.. 2009;44(6):2667-2672. Abstract
"ADRIANA.Code
The application of a 3D-QSAR (autoMEP/PLS) approach as an efficient pharmacodynamic-driven filtering method for small-sized virtual library: Application to a lead optimization of a human A3 adenosine receptor antagonist." Bioorg. Med. Chem.. 2006;14(14):4923-4932. Abstract
"ADRIANA.Code
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
"ADRIANA.Code
Molecular properties of psychopharmacological drugs determining non-competitive inhibition of 5-HT3A receptors." Eur. J. Med. Chem.. 2009;44(6):2667-2672. Abstract
"ADRIANA.Code
Molecular properties of psychopharmacological drugs determining non-competitive inhibition of 5-HT3A receptors." Eur. J. Med. Chem.. 2009;44(6):2667-2672. Abstract
"ADRIANA.Code
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
"ADRIANA.Code
Conformations and 3D pharmacophore searching." Drug Discovery Today: Technologies. 2010;7(4):e245-e253. Abstract
"CORINA, ROTATE
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
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
"ADRIANA.Code
Development of computational models for the risk assessment of cosmetic ingredients." IFSCC Magazine. 2012;15:249-255. Abstract
"
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
Conformations and 3D pharmacophore searching." Drug Discovery Today: Technologies. 2010;7(4):e245-e253. Abstract
"CORINA, ROTATE
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
Conformations and 3D pharmacophore searching." Drug Discovery Today: Technologies. 2010;7(4):e245-e253. Abstract
"CORINA, ROTATE
Development of computational models for the risk assessment of cosmetic ingredients." IFSCC Magazine. 2012;15:249-255. Abstract
"
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
Inroads to Predict in Vivo Toxicology-An Introduction to the eTOX Project." Int. J. Mol. Sci.. 2012;13(3). Abstract
"
Second-generation de novo design: a view from a medicinal chemist perspective." J. Comput. Aided Mol. Des.. 2009;23(8):593-602. Abstract
"SYLVIA
Second-generation de novo design: a view from a medicinal chemist perspective." J. Comput. Aided Mol. Des.. 2009;23(8):593-602. Abstract
"SYLVIA
Second-generation de novo design: a view from a medicinal chemist perspective." J. Comput. Aided Mol. Des.. 2009;23(8):593-602. Abstract
"SYLVIA