D
Debesh R. Roy
Researcher at Indian Institute of Technology Kharagpur
Publications - 84
Citations - 2791
Debesh R. Roy is an academic researcher from Indian Institute of Technology Kharagpur. The author has contributed to research in topics: Density functional theory & Chemistry. The author has an hindex of 25, co-authored 68 publications receiving 2066 citations. Previous affiliations of Debesh R. Roy include Indian Institutes of Technology & Virginia Commonwealth University.
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Electrophilicity index as a possible descriptor of biological activity.
TL;DR: From the results it is possible to observe that electrophilicity index may be suitable to effectively describe the biological activity.
Journal ArticleDOI
Electrophilicity as a possible descriptor for toxicity prediction.
Debesh R. Roy,Ramakrishnan Parthasarathi,B. Maiti,Venkatesan Subramanian,Pratim Kumar Chattaraj +4 more
TL;DR: It is heartening to note that the global and local electrophilicity values together can explain the toxicity of a large variety of aliphatic compounds nicely without resorting to any other descriptor or other microscopic/macroscopic physicochemical properties as is the situation in all other QSAR studies.
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Multiphilic descriptor for chemical reactivity and selectivity.
J. Padmanabhan,Ramakrishnan Parthasarathi,M. Elango,Venkatesan Subramanian,B S Krishnamoorthy,Soledad Gutiérrez-Oliva,Alejandro Toro-Labbé,Debesh R. Roy,Pratim Kumar Chattaraj +8 more
TL;DR: To study the intra- and intermolecular reactivities another related descriptor, namely, the nucleophilicity excess (Deltaomega(g)-/+) for a nucleophile over the electrophilicity in it, has been defined and tested on all-metal aromatic compounds.
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Analyzing Toxicity Through Electrophilicity
Debesh R. Roy,Utpal Sarkar,Pratim Kumar Chattaraj,A. Mitra,J. Padmanabhan,J. Padmanabhan,Ramakrishnan Parthasarathi,V. Subramanian,S. Van Damme,Patrick Bultinck +9 more
TL;DR: It is demonstrated that the toxicity of several toxins (both electron donors and acceptors) in the gas and solution phases can be adequately explained in terms of global and local electrophilicities.