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2007

Wishart, D.S., Cruz, J.A.

Machine learning is a branch of artifi cial intelligence that employs a variety of statistical, probabilistic and optimization techniques that allows computers to “learn” from past examples and to detect hard-to-discern patterns from large, noisy or complex data sets. This capability is...

2005

Stothard, P., Lu, P., Cruz, J.A., Szafron, D., Van Domselaar, G.H., Shrivistava, S., Guo, A., Dong, X., Grenier, R., Wishart, D.S.

BASys (Bacterial Annotation System) is a web server that supports automated, in-depth annotation of bacterial genomic (chromosomal and plasmid) sequences. It accepts raw DNA sequence data and an optional list of gene identification information and provides extensive textual annotation and...

2008

Wishart, D.S., Berjanskii, M., Arndt, D., Lin, G., Tang, P., Zhou, J.

CS23D (chemical shift to 3D structure) is a web server for rapidly generating accurate 3D protein structures using only assigned nuclear magnetic resonance (NMR) chemical shifts and sequence data as input. Unlike conventional NMR methods, CS23D requires no NOE and/or J-coupling data to perform...

2009

Bassett, E., Wishart, D.S., Lu, P., MacDonnell, C., Berjanskii, M., Zhou, J., Liang, J., Zhou, Y., Cruz, J.A., Lin, G., Tang, P.

GeNMR (GEnerate NMR structures) is a web server for rapidly generating accurate 3D protein structures using sequence data, NOE-based distance restraints and/or NMR chemical shifts as input. GeNMR accepts distance restraints in XPLOR or CYANA format as well as chemical shift files in either SHIFTY...

2009

Lewis, A., Wishart, D.S., Guo, A.C., Gautam, B., Tzur, D., Sobsey, C.A., Shaykhutdinov, R., Fradette, R., De Souza, A., Cruz, J.A., Xiong, Y., Bouatra, S., Mandal, R., Psychogios, N., Sinelnikov, I., Vogel, H.J., Fang, L., Peng, J., Xia, J., Li, L., Knox, C., Shrivastava, S., Clements, M., Lim, E., Eisner, R., Cheng, D., Dawe, M., Zuniga, A., Young, N., Jia, L., Grenier, R., Hau, D.D., Huang, P., Nazyrova, A., Liu, P., Forsythe, I., Dong, E., Clive, D.

The Human Metabolome Database (HMDB, http:// www.hmdb.ca (http://www.hmdb.ca)) is a richly annotated resource that is designed to address the broad needs of biochemists, clinical chemists, physicians, medical geneticists, nutritionists and members of the metabolomics community. Since its first...

2008

Tang, P., Wishart, D.S., Xia, J., Bjorndahl, T.C.

Background One-dimensional (1D) 1H nuclear magnetic resonance (NMR) spectroscopy is widely used in metabolomic studies involving biofluids and tissue extracts. There are several software packages that support compound identification and quantification via 1D 1H NMR by spectral fitting...

2008

Shrivistava, S., Berjanskii, M., Wishart, D.S., Cruz, J.A., Arndt, D., Montgomerie, S.

PROTEUS2 is a web server designed to support comprehensive protein structure prediction and structure-based annotation. PROTEUS2 accepts either single sequences (for directed studies) or multiple sequences (for whole proteome annotation) and predicts the secondary and, if possible, tertiary...