Structure activity relationships - PowerPoint PPT Presentation

The Epothilones

The Epothilones. Brian Lucas October 16, 2003. Epothiwhat?. Epo xide, thi azo l e, ket one = epothilone. Epothilone A, R = H Epothilone B, R = CH 3. Overview . The epothilones are extremely cytotoxic agents with a similar mode of action to Taxol®

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MEDICINAL CHEMISTRY

MEDICINAL CHEMISTRY. BY. Dr. Mirza Shahed Baig. Objective and Scope of Medicinal Chemistry – I. Scope:

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1.27k views • 36 slides

Lise-Lotte Gundersen Department of Chemistry, University of Oslo, Norway

Synthesis directed towards Agelasines, Agelasimines, Asmarines and Analogs; Bioactive Marine Natural Products. Lise-Lotte Gundersen Department of Chemistry, University of Oslo, Norway. 21:a Organikerdagarna, Åhus 2008. 23. Organisk-kjemiske vintermøte, Geilo 2008. Marine organisms

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544 views • 36 slides

Lise-Lotte Gundersen Department of Chemistry, University of Oslo, Norway

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382 views • 36 slides

Chemoinformatics, cheminformatics, chemical informatics: What is it?

Chemoinformatics, cheminformatics, chemical informatics: What is it?. Gary Wiggins and Wendie Shreve Chemistry Library Indiana University. Abstract.

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Combining DFT and QSAR result for predicting the biological activity of the phenylsuccinimide derivatives

Study 3D-QSAR is applied to a set of 57 molecules based on N-phenylsuccinimides using the principal component analysis (PCA) method, the multiple linear regression method (MLR) and the artificial neural network (ANN). The predicted values of activities are in good agreement with the experimental results. The artificial neural network (ANN) techniques, considering the relevant descriptors obtained from the MLR, showed a correlation coefficient of 0,9 with an 8-20-1 ANN model which is a good result. As a result of quantitative structure-activity relationships, we found that the model proposed in this study is constituted of major descriptors used to describe these molecules. The obtained results suggested that proposed combination of several calculated parameters could be useful in predicting biological activity of N-phenylsuccinimides derivatives.

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143 views • 12 slides

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