Molecular Signature Publications
- 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. in press, 2007 [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
in press
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, in press 2007
- 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)
Molecular Signature Downloads
Molecular signature
and Molecular canonizer
Protein
signature and Protein-Protein Interaction Predictor
Send reprint request or comments to:
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