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Rudra Narayan Das

Jadavpur UniversityIN
ORCID0000-0002-6228-7524
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27

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Citations
3,958

via OpenAlex

Publications
21

About

Rudra Narayan Das is a researcher at Jadavpur University, focusing on quantitative structure-activity relationships (QSAR), chemometrics, molecular modeling, and in silico tools. With a research span of five years, spanning from 2011 to 2015, he has published 21 works, exploring topological and computational chemistry methods. His work emphasizes the development of predictive models for toxicity prediction using extended topochemical atom (ETA) indices.

Research areas

  • Quantitative structure–activity relationship
  • Chemistry
  • Computer science
  • Biology
  • Organic chemistry

Publications (21)

Sorted by most cited.

  1. Quantitative structure–activity relationship for toxicity of ionic liquids to Daphnia magna: Aromaticity vs. lipophilicity

    2014

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    87 cites

  2. On some novel extended topochemical atom (ETA) parameters for effective encoding of chemical information and modelling of fundamental physicochemical properties

    2011

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    66 cites

  3. QSTR with extended topochemical atom (ETA) indices. 16. Development of predictive classification and regression models for toxicity of ionic liquids towards Daphnia magna

    2013journal article

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    59 cites

  4. Predictive QSAR modelling of algal toxicity of ionic liquids and its interspecies correlation with Daphnia toxicity

    2014

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    47 cites

  5. Interspecies quantitative structure–toxicity–toxicity (QSTTR) relationship modeling of ionic liquids. Toxicity of ionic liquids to V. fischeri, D. magna and S. vacuolatus

    2015

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    38 cites

  6. Background of QSAR and Historical Developments

    2015

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    36 cites

  7. Exploring simple, transparent, interpretable and predictive QSAR models for classification and quantitative prediction of rat toxicity of ionic liquids using OECD recommended guidelines

    2015

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    28 cites

  8. Chemical Information and Descriptors

    2015

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    23 cites

  9. On Extended Topochemical Atom (ETA) Indices for QSPR Studies

    2011book chapter

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    22 cites

  10. QSTR with extended topochemical atom (ETA) indices. 15. Development of predictive models for toxicity of organic chemicals against fathead minnow using second-generation ETA indices

    2012

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    21 cites

  11. The “ETA” Indices in QSAR/QSPR/QSTR Research

    2016

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    20 cites

  12. The “ETA” Indices in QSAR/QSPR/QSTR Research

    2015

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    6 cites

  13. On Extended Topochemical Atom (ETA) Indices for QSPR Studies

    2014

    View DOI
    2 cites

  14. Advances in QSPR/QSTR models of ionic liquids for the design of greener solvents of the future

    journal article

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    0 cites

  15. Comparative Studies on Some Metrics for External Validation of QSPR Models

    journal article

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    0 cites

  16. Development of classification and regression models for Vibrio fischeri toxicity of ionic liquids: green solvents for the future

    journal article

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    0 cites

  17. Further exploring rm2 metrics for validation of QSPR models

    journal article

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    0 cites

  18. Introduction of rm2(rank) metric incorporating rank-order predictions as an additional tool for validation of QSAR/QSPR models

    journal article

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    0 cites

  19. Lead Hopping forPfDHODH Inhibitors as Antimalarials Based on Pharmacophore Mapping, Molecular Docking and Comparative Binding Energy Analysis (COMBINE): A Three-Layered Virtual Screening Approach

    journal article

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    0 cites

  20. QSPR with extended topochemical atom (ETA) indices. 4. Modeling aqueous solubility of drug like molecules and agrochemicals following OECD guidelines

    journal article

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    0 cites

  21. Some case studies on application of “rm2” metrics for judging quality of quantitative structure-activity relationship predictions: Emphasis on scaling of response data

    journal article

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    0 cites