Prediction of molecular properties and spectroscopic profile of Riluzole with different functionals (B3LYP, M06-2X, MPWLYP): A combined theoretical and experimental study-Reference-Cited by-同舟云学术

Prediction of molecular properties and spectroscopic profile of Riluzole with different functionals (B3LYP, M06-2X, MPWLYP): A combined theoretical and experimental study

Published:2016-02 Issue: Volume:1106 Page:265-276
ISSN:0022-2860
Container-title:Journal of Molecular Structure
language:en
Short-container-title:Journal of Molecular Structure

Author:

Shukla Vikas K.,Sachan Alok K.,Pathak Shilendra K.,Srivastava Ruchi,Prasad Onkar,Sinha Leena

Funder

Central Drug Research Institute

Publisher

Elsevier BV

Subject

Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry

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2. Novel Cyano- and Amidinobenzothiazole Derivatives: Synthesis, Antitumor Evaluation, and X-ray and Quantitative Structure−Activity Relationship (QSAR) Analysis

3. Synthesis, in vitro and in vivo cytotoxicity, and prediction of the intestinal absorption of substituted 2-ethoxycarbonyl-imidazo[2,1-b]benzothiazoles

4. Synthesis and biological evaluation of novel Mannich bases of 2-arylimidazo[2,1-b]benzothiazoles as potential anti-cancer agents

5. The Development of the Antitumour Benzothiazole Prodrug, Phortress, as a Clinical Candidate

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