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Journal Articles
- 2013
[j9]José L. Medina-Franco
, Bruce S. Edwards, Clemencia Pinilla, Jon R. Appel, Marc A. Giulianotti, Radleigh Santos, Austin B. Yongye, Larry A. Sklar, Richard A. Houghten:
Rapid Scanning Structure-Activity Relationships in Combinatorial Data Sets: Identification of Activity Switches. J. Chem. Inf. Model. 53(6): 1475-1485 (2013)- [j8]Radleigh Santos, Marc A. Giulianotti, Richard A. Houghten, José L. Medina-Franco:
Conditional Probabilistic Analysis for Prediction of the Activity Landscape and Relative Compound Activities. J. Chem. Inf. Model. 53(10): 2613-2625 (2013) - 2012
- [j7]José L. Medina-Franco, Austin B. Yongye, Jaime Pérez-Villanueva, Richard A. Houghten, Karina Martínez-Mayorga:
Activity-difference maps and consensus similarity measure characterize structure-activity relationships. J. Cheminformatics 4(S-1): 24 (2012) - [j6]Fabian López-Vallejo, Jacob Waddell, Austin B. Yongye, Richard A. Houghten, José L. Medina-Franco:
A large scale classification of molecular fingerprints for the chemical space representation and SAR analysis. J. Cheminformatics 4(S-1): 26 (2012) - 2011
- [j5]José L. Medina-Franco, Austin B. Yongye, Jaime Pérez-Villanueva, Richard A. Houghten, Karina Martínez-Mayorga:
Multitarget Structure-Activity Relationships Characterized by Activity-Difference Maps and Consensus Similarity Measure. J. Chem. Inf. Model. 51(9): 2427-2439 (2011) - 2010
- [j4]Austin B. Yongye, Marc A. Giulianotti, Adel Nefzi, Richard A. Houghten, Karina Martínez-Mayorga:
Conformational landscape of platinum(II)-tetraamine complexes: DFT and NBO studies. J. Comput. Aided Mol. Des. 24(3): 225-235 (2010) - 2009
- [j3]Austin B. Yongye, Yangmei Li, Marc A. Giulianotti, Yongping Yu, Richard A. Houghten, Karina Martínez-Mayorga:
Modeling of peptides containing D-amino acids: implications on cyclization. J. Comput. Aided Mol. Des. 23(9): 677-689 (2009) - [j2]José L. Medina-Franco, Karina Martínez-Mayorga, Andreas Bender, Ray M. Marín, Marc A. Giulianotti, Clemencia Pinilla, Richard A. Houghten:
Characterization of Activity Landscapes Using 2D and 3D Similarity Methods: Consensus Activity Cliffs. J. Chem. Inf. Model. 49(2): 477-491 (2009) - [j1]Narender Singh, Rajarshi Guha, Marc A. Giulianotti, Clemencia Pinilla, Richard A. Houghten, José L. Medina-Franco:
Chemoinformatic Analysis of Combinatorial Libraries, Drugs, Natural Products, and Molecular Libraries Small Molecule Repository. J. Chem. Inf. Model. 49(4): 1010-1024 (2009)
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