QSAR publications and downloads


Molecular signature and Molecular canonizer

Protein signature and Protein-Protein Interaction Predictor


  • Martin S., Brown W. M., Faulon J.L. Using Product Kernels to Predict Protein Interactions. InAdvances in Biochemical Engineering/Biotechnology, Eds. H. Seitz and M. Werther, Springer-Verlag. 110, 215-245, 2008. [PMID: 17922100]
  • Faulon J.L., Misra M., Martin S., Sale, K., Sapra R.. Genome Scale Enzyme-metabolites and Drug-Target interaction predictions using the signature molecular descriptor, Bioinformatics, 24(2):225-233, 2007 [PMID: 18037612 ] (link to journal)
  • Gray G.A., Williams P.J., Brown W.M., Faulon J.L., Sale K. Disparate Data Fusion for Protein Phosphorylation Prediction???, Annals of Operations Research Special Volume on Data Mining, 2008, (link to journal)
  • Oprea T., Tropsha A., Faulon J.L., Rintoul M.D. Systems Chemical Biology, Nature Chem. Bio., 3, 447-50, 2007 [PMID: 17637771] (link to journal)
  • Faulon J.L., Brown W.M., Martin S Reverse engineering chemical structures from molecular descriptors: how many solutions? J. Comput Aided Mol Des. 2005 in press [PMID: 16267694] (.pdf manuscript).
  • Brown W.M., Martin S, Rintoul, M.D, Faulon J.L. The Signature Molecular Descriptor. 6. Designing Novel Polymers with Targeted Properties, J. Chem. Info. Info. Model., in press, 2005. (.pdf manuscript).
  • Weis D., Faulon J.L., Visco D. The Signature Molecular Descriptor. 5. The Design of Hydrofluoroether Foam Blowing Agents Using Inverse-QSAR, Ind. Eng. Chem. Res., 44, 8883-8891, 2005. (link to journal)
  • Brown W. M., Martin S., Chabarek J.P., Strauss C, Faulon J.L. Prediction of β-Strand Packing Interactions using the Signature Product, Journal of Molecular Modeling, in press. [PMID: 16365772] (link to journal)
  • Martin S., Roe D., Faulon J.L. Predicting Protein-Protein Interactions using Signature Products, Bioinformatics, 21, 218-26, 2005. [PMID: 15319262]. (.pdf manuscript).
  • Martin S., Brown W.M., Weis D., Kenneke J., Visco D., Faulon J.L. Inverse Design of Large Molecules using Linear Diophantine Equations. Proceedings IEEE CSB2005, 4, 2005.
  • Faulon J.L., Collins M., Carr R.D. The Signature Molecular Descriptor. 4. Canonizing Molecules Using Extended Valence Sequence, J. Chem. Inf. Comput. Sci., 44, 427-436, 2004. [PMID: 15032522]. (.pdf manuscript).
  • Churchwell C. J., Rintoul M. D, Martin S., Visco D., Kotu, A., Larson R. S., Sillerud L. O. Brown D. C., Faulon J.L. The Signature Molecular Descriptor. 3. Inverse Quantitative Structure-Activity Relationship of ICAM-1 Inhibitory Peptides J. Molecular Graphics & Modelling., 22, 263-273, 2004. [PMID: 15177078]. (.pdf manuscript)
  • Faulon J. L., Visco D. Churchwell, C. J., The Signature Molecular Descriptor. 2. Enumerating Molcules from their Extended Valence Sequences, J. Chem. Inf. Comput. Sci., 43 (3), 721 -734, 2003. [PMID: 12767130]. (link to journal)
  • Faulon J.L., Visco D., Pophale R.S. The Signature Molecular Descriptor. 1. Using Extended Valence Sequences in QSAR and QSPR studies, J. Chem. Inf. Comput. Sci., 43, 707-720, 2003. [PMID: 12767129]. (link to journal)
  • Faulon, J. L., Stochastic Generator of Chemical Structure. (1) Application to the Structure Elucidation of Large Molecules, J. Chem. Inf. Comput. Sci., 1994, 34, 1204-1218. (.pdf)

Send reprint request or comments to: Jean-Loup.Faulon@univ-evry.fr