International Journal of Science and Research (IJSR)

International Journal of Science and Research (IJSR)
www.ijsr.net | Most Trusted Research Journal Since Year 2012

ISSN: 2319-7064

Research Paper | Chemistry | India | Volume 2 Issue 7, July 2013

Quantum Chemical and Energy Descriptors Based Qsar Studies of Triazines Inhibiting Dihydrofolate Reductase

Mithilesh Tiwari, S. K. Singh, Lakshmi Gangwar

Among all the 25 QSAR models PA 1 to PA 25, the number of good QSAR models is 10 whose regression coefficient is greater than 0.7. In all the best 10 QSAR models, heat of formation is common. It means the best descriptor to predict the activities are the heat of formation. Also, the predicted activity obtained by taking heat of formation as single descriptor possesses the good value of regression coefficient which is 0.721430.

Keywords: QSAR, Descriptors, triazines, Dihydrofolate reductase, Steric energy, Heat of formation

Edition: Volume 2 Issue 7, July 2013

Pages: 96 - 100


How to Cite this Article?

Mithilesh Tiwari, S. K. Singh, Lakshmi Gangwar, "Quantum Chemical and Energy Descriptors Based Qsar Studies of Triazines Inhibiting Dihydrofolate Reductase", International Journal of Science and Research (IJSR), https://www.ijsr.net/search_index_results_paperid.php?id=IJSROFF2013304, Volume 2 Issue 7, July 2013, 96 - 100

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Research Paper, Chemistry, India, Volume 2 Issue 7, July 2013

Pages: 96 - 100

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Mithilesh Tiwari, S. K. Singh, Lakshmi Gangwar

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