Výsledky vyhledávání

Prediction of glycine/NMDA receptor antagonist inhibition from molecular structure

Autor: S J, Patankar, P C, Jurs

Publikováno v: Journal of chemical information and computer sciences. 42(5)

The design and blood brain barrier crossing of glycine/NMDA receptor antagonists are of significant interest in pharmaceutical research. The use of these antagonists in stroke or seizure reduction have been considered. Measuring the inhibitory concen

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::f66625e49ca63fc645d29b1d8f5a6a79
https://pubmed.ncbi.nlm.nih.gov/12376992

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Prediction of Human Intestinal Absorption of Drug Compounds from Molecular Structure

Autor: M. D. Wessel, P. C. Jurs, J. W. Tolan, S. M. Muskal

Publikováno v: Molecular Modeling and Prediction of Bioactivity ISBN: 9781461368571

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b1e218a3b9ebd99794cb7d888bef0586
https://doi.org/10.1007/978-1-4615-4141-7_30

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An SAR study of the mutagenicity of PAH compounds in Salmonella typhimurium

Autor: S R, Moyer, P C, Jurs

Publikováno v: Progress in clinical and biological research.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::8806c1e69a3d1d17de95952e3f062b82
https://pubmed.ncbi.nlm.nih.gov/2203000

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Book reviews

Autor: P. C. Jurs, H. A. C. McKay, J. Penfold, J. Lee, J. Vigue, John Maher

Publikováno v: Journal of the Chemical Society, Faraday Transactions. 90:1553

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2099d48cc22920fd77a1caf5a7b21aa8
https://doi.org/10.1039/ft9949001553

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Periodical

Local Lazy Regression: Making Use of the Neighborhood to Improve QSAR Predictions

Autor: Guha, Rajarshi, Dutta, Debojyoti, C. Jurs, Peter, Chen, Ting

Publikováno v: Journal of Chemical Information and Modeling; July 2006, Vol. 46 Issue: 4 p1836-1847, 12p

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Periodical

R-NN Curves: An Intuitive Approach to Outlier Detection Using a Distance Based Method

Autor: Guha, Rajarshi, Dutta, Debojyoti, C. Jurs, Peter, Chen, Ting

Publikováno v: Journal of Chemical Information and Modeling; July 2006, Vol. 46 Issue: 4 p1713-1722, 10p

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Periodical

Scalable Partitioning and Exploration of Chemical Spaces Using Geometric Hashing

Autor: Dutta, Debojyoti, Guha, Rajarshi, C. Jurs, Peter, Chen, Ting

Publikováno v: Journal of Chemical Information and Modeling; January 2006, Vol. 46 Issue: 1 p321-333, 13p

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Periodical

Interpreting Computational Neural Network Quantitative Structure−Activity Relationship Models: A Detailed Interpretation of the Weights and Biases

Autor: Guha, Rajarshi, T. Stanton, David, C. Jurs, Peter

Publikováno v: Journal of Chemical Information and Modeling; July 2005, Vol. 45 Issue: 4 p1109-1121, 13p

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Periodical

Development of Linear, Ensemble, and Nonlinear Models for the Prediction and Interpretation of the Biological Activity of a Set of PDGFR Inhibitors

Autor: Guha, Rajarshi, C. Jurs, Peter

Publikováno v: Journal of Chemical Information and Modeling; November 2004, Vol. 44 Issue: 6 p2179-2189, 11p

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Periodical

Development of QSAR Models To Predict and Interpret the Biological Activity of Artemisinin Analogues

Autor: Guha, Rajarshi, C. Jurs, Peter

Publikováno v: Journal of Chemical Information and Modeling; July 2004, Vol. 44 Issue: 4 p1440-1449, 10p

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