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Rudra Narayan Das

Jadavpur UniversityIN
ORCID0000-0002-6228-7524
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27

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Citations
3,981

via OpenAlex

Publications
49

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 (49)

Sorted by most cited.

  1. Be aware of error measures. Further studies on validation of predictive QSAR models

    2016

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    693 cites

  2. Further exploring rm2 metrics for validation of QSPR models

    2011journal article

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    552 cites

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

    2013journal article

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    467 cites

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

    2011journal article

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    453 cites

  5. A Primer on QSAR/QSPR Modeling

    2015

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    322 cites

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

    2013journal article

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    149 cites

  7. Statistical Methods in QSAR/QSPR

    2015

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    125 cites

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

    2014

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    87 cites

  9. A Review on Principles, Theory and Practices of 2D-QSAR

    2014

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    75 cites

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

    2012journal article

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    75 cites

  11. Predictive modeling studies for the ecotoxicity of ionic liquids towards the green algae Scenedesmus vacuolatus

    2013

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    66 cites

  12. 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

  13. Validation of QSAR Models

    2015

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    64 cites

  14. 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

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

    2012journal article

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    51 cites

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

    2014

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    48 cites

  17. Selected Statistical Methods in QSAR

    2015

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    43 cites

  18. Other Related Techniques

    2015

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    41 cites

  19. Cytotoxicity towards CCO cells of imidazolium ionic liquids with functionalized side chains: Preliminary QSTR modeling using regression and classification based approaches

    2014

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    41 cites

  20. 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

  21. Background of QSAR and Historical Developments

    2015

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    38 cites

  22. Development of predictive QSAR models for Vibrio fischeri toxicity of ionic liquids and their true external and experimental validation tests

    2016

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    37 cites

  23. QSAR/QSPR Modeling: Introduction

    2015

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    33 cites

  24. Computational Chemistry

    2015

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    32 cites

  25. Predictive <i>in silico</i> Modeling of Ionic Liquids toward Inhibition of the Acetyl Cholinesterase Enzyme of <i>Electrophorus electricus</i>: A Predictive Toxicology Approach

    2013

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    30 cites

  26. 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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    29 cites

  27. QSTR with extended topochemical atom (ETA) indices. 14. QSAR modeling of toxicity of aromatic aldehydes to Tetrahymena pyriformis

    2010

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    25 cites

  28. Chemical Information and Descriptors

    2015

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    23 cites

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

    2012journal article

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    23 cites

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

    2011book chapter

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    22 cites

  31. 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

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

    2016

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    20 cites

  33. Computation of chromatographic lipophilicity parameter logk0 of ionic liquid cations from “ETA” descriptors: Application in modeling of toxicity of ionic liquids to pathogenic bacteria

    2016

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    18 cites

  34. Preliminary Studies on Model Development for Rodent Toxicity and Its Interspecies Correlation with Aquatic Toxicities of Pharmaceuticals

    2012

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    18 cites

  35. Introduction to 3D-QSAR

    2015

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    12 cites

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

    2012journal article

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    10 cites

  37. Future Avenues

    2015

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    8 cites

  38. Newer QSAR Techniques

    2015

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    8 cites

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

    2015

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    6 cites

  40. Classical QSAR

    2015

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    5 cites

  41. SAR and QSAR in Drug Discovery and Chemical Design—Some Examples

    2015

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    5 cites

  42. Power Enhancement of Solar PV Array Under PSC by Puzzle Based Arrangement

    2023

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    3 cites

  43. QSAR/QSPR Methods

    2015

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    3 cites

  44. Newer Directions in QSAR/QSPR

    2015

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    3 cites

  45. Topological QSAR

    2015

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    2 cites

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

    2014

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    2 cites

  47. Maximizing Solar Array Output Power Under PS Using Shifting Arrangement Reconfiguration

    2023

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    0 cites

  48. Can Toxicity for Different Species Be Correlated?

    2016

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    0 cites

  49. Preface

    2015

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    0 cites