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Probir Kumar Ojha

Jadavpur UniversityIN
ORCID0000-0003-4796-3915
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26

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Citations
3,465

via OpenAlex

Publications
76

About

Probir Kumar Ojha is a researcher at Jadavpur University. With an extensive publication record spanning over 56 years, from 1970 to 2026, Ojha has made significant contributions in the field of cheminformatics, QSAR modeling, and pharmacophore analysis. His research focuses on predicting chemical toxicity, developing predictive models for aquatic toxicology, and designing novel agents with potential therapeutic applications.

Research areas

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

Publications (76)

Sorted by most cited.

  1. First report on a classification-based QSAR model for chemical toxicity to earthworm

    Journal of Hazardous Materials1970journal article

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    44 cites

  2. Development of a temperature dependent 2D-QSPR model for viscosity of diverse functional ionic liquids

    Journal of Molecular Liquids1970journal article

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    22 cites

  3. QSAR modeling with ETA indices for cytotoxicity and enzymatic activity of diverse chemicals

    Journal of Hazardous Materials1970journal article

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    17 cites

  4. Cheminformatic modelling of β-amyloid aggregation inhibitory activity against Alzheimer's disease

    Computers in Biology and Medicine1970journal article

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    10 cites

  5. Predicting dermal absorption of polycyclic aromatic hydrocarbons using QSAR and read-across: Mechanistic insights for drug and chemical design

    Total Chemistry2026journal article

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    0 cites

  6. q-RASAR modeling of antibiotics-microplastics mixtures: Towards predictive aquatic toxicology and resistance risk assessment

    Aquatic Toxicology2026journal article

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    0 cites

  7. QSAR meets ecology: Predictive framework for assessing pesticide toxicity against mayfly using consensus modelling

    Science of The Total Environment2026journal article

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    0 cites

  8. Chemometric modelling for eco-toxicological risk assessment of diverse chemicals towards mammalian species

    Chemosphere2026journal article

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    0 cites

  9. Chemometric modeling, inverse docking, and molecular simulations-driven design for multilayered prioritization of novel leishmanicidal agents based on a 2-aminobenzimidazole scaffold

    Molecular Diversity2026journal article

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    0 cites

  10. Predictive q-RASAR modeling of intrinsic toxicity of pharmaceuticals and bioactive compounds in cats

    Journal of Hazardous Materials2026journal article

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    0 cites

  11. An alternative to in vivo/in vitro toxicity testing: Consensus-based prediction for toxicity assessment and prioritisation of diverse chemicals in Japanese eel to safeguard aquatic and public health

    Marine Pollution Bulletin2026journal article

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    0 cites

  12. An alternative to in-vivo/in-vitro drug toxicity testing: Environmentally relevant approaches for toxicity assessment of pharmaceuticals towards rats

    Chemosphere2025journal article

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    0 cites

  13. Exploring aquatic toxicity of diverse pesticides against Chironomus riparius (harlequin fly) and Lemna gibba (swollen duckweed): Applications of QSTR, i-QSTTR, and novel q-RA approaches

    Science of The Total Environment2025journal article

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    0 cites

  14. Unveiling G protein-coupled inwardly-rectifying potassium channel 4 (GIRK4) inverse agonists: A novel simulation-driven approach leveraging cellular ion flow coupled with chemometrics and protein conformational dynamics

    International Journal of Biological Macromolecules2025journal article

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    0 cites

  15. Bridging chemistry and toxicology: Chemometric-driven prediction and prioritization of various drugs addressing hazardous effects for human safety

    Journal of Hazardous Materials2025journal article

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    0 cites

  16. From structure to strategy: chemometric modeling for the prediction of terminal half-life of pharmaceuticals and its role in future therapeutics

    Molecular Diversity2025journal article

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    0 cites

  17. The first report on chronic toxicity assessment of metals towards Ceriodaphnia dubia using QSTR technique: A step towards healthier and safer human health and eco-system

    Computational Toxicology2025journal article

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    0 cites

  18. First report on q-RASTR modelling of hazardous dose (HD 5 ) for acute toxicity of pesticides: an efficient and reliable approach towards safeguarding the sensitive avian species

    SAR and QSAR in Environmental Research2025journal article

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    0 cites

  19. First report on chemometrics-driven multilayered lead prioritization in addressing oxysterol-mediated overexpression of G protein-coupled receptor 183

    Molecular Diversity2024journal article

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    0 cites

  20. Unveiling G-protein coupled receptor kinase-5 inhibitors for chronic degenerative diseases: Multilayered prioritization employing explainable machine learning-driven multi-class QSAR, ligand-based pharmacophore and free energy-inspired molecular simulation

    International Journal of Biological Macromolecules2024journal article

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    0 cites

  21. Chronic aquatic toxicity assessment of diverse chemicals on Daphnia magna using QSAR and chemical read-across

    Regulatory Toxicology and Pharmacology2024journal article

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    0 cites

  22. q-RASTR modelling for prediction of diverse toxic chemicals towards T. pyriformis

    SAR and QSAR in Environmental Research2024journal article

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    0 cites

  23. First report on ecotoxicological QSTR and i-QSTR modeling for the prediction of acute ecotoxicity of diverse organic chemicals against three protozoan species

    Chemosphere2023journal article

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    0 cites

  24. Intelligent Consensus Predictions of Biodegradation Half-Life of Petroleum Hydrocarbons (PHCs)

    International Journal of Quantitative Structure-Property Relationships2021journal article

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    0 cites

  25. Ecotoxicological Modeling of Organic Chemicals for Their Acute Toxicity in Algae Using Classification and Toxicophore-Based Approaches

    International Journal of Quantitative Structure-Property Relationships2020journal article

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    0 cites

  26. Artificial Neural Network (ANN) Modeling of Odor Threshold Property of Diverse Chemical Constituents of Black Tea and Coffee

    International Journal of Quantitative Structure-Property Relationships2019journal article

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    0 cites

  27. Intelligent consensus prediction for addressing ecotoxicological effects of diverse pesticides on California quail

    Environmental Science: Processes & Impacts1970journal article

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    0 cites

  28. Quantitative read-across structure–property relationship (q-RASPR): a novel approach to estimate the bioaccumulative potential for diverse classes of industrial chemicals in aquatic organisms

    Environmental Science: Processes & Impacts1970journal article

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    0 cites

  29. Chemometric modeling of the lowest observed effect level (LOEL) and no observed effect level (NOEL) for rat toxicity

    Environmental Science: Advances1970journal article

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    0 cites

  30. The first report on the assessment of maximum acceptable daily intake (MADI) of pesticides for humans using intelligent consensus predictions

    Environmental Science: Processes & Impacts1970journal article

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    0 cites

  31. Exploring regression-based QSTR and i-QSTR modeling for ecotoxicity prediction of diverse pesticides on multiple avian species

    Environmental Science: Advances1970journal article

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    0 cites

  32. Artificial Neural Network (ANN) Modeling of Odor Threshold Property of Diverse Chemical Constituents of Black Tea and Coffee

    1970book chapter

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    0 cites

  33. Assessment of the CYP1A2 Inhibition-Mediated Drug Interaction Potential for Pinocembrin Using In Silico, In Vitro, and In Vivo Approaches

    ACS Omega1970journal article

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    0 cites

  34. Effect of Myricetin on CYP2C8 Inhibition to Assess the Likelihood of Drug Interaction Using In Silico, In Vitro, and In Vivo Approaches

    ACS Omega1970journal article

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    0 cites

  35. Amalgamation of in-silico, in-vitro and in-vivo approach to establish glabridin as a potential CYP2E1 inhibitor

    Xenobiotica1970journal article

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    0 cites

  36. Application of QSAR for the identification of key molecular fragments and reliable predictions of effects of textile dyes on growth rate and biomass values of Raphidocelis subcapitata

    Aquatic Toxicology1970journal article

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    0 cites

  37. Chemometric Modeling of Absorption Maxima of Carbazole Dyes Used in Dye-Sensitized Solar Cells

    Challenges and Advances in Computational Chemistry and Physics1970book chapter

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    0 cites

  38. Recent advances in quantitative structure–activity relationship models of antimalarial drugs

    Expert Opinion on Drug Discovery1970journal article

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    0 cites

  39. Therapeutics for COVID-19: from computation to practices—where we are, where we are heading to

    Molecular Diversity1970journal article

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    0 cites

  40. A multi-layered variable selection strategy for qsar modeling of butyrylcholinesterase inhibitors

    Current Topics in Medicinal Chemistry1970journal article

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    0 cites

  41. Aptamer-Functionalized Drug Nanocarrier Improves Hepatocellular Carcinoma toward Normal by Targeting Neoplastic Hepatocytes

    Molecular Therapy - Nucleic Acids1970journal article

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    0 cites

  42. Chemometric modeling of power conversion efficiency of organic dyes in dye sensitized solar cells for the future renewable energy

    Nano Energy1970journal article

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    0 cites

  43. Exploring 2D-QSAR for prediction of beta-secretase 1 (BACE1) inhibitory activity against Alzheimer’s disease

    SAR and QSAR in Environmental Research1970journal article

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    0 cites

  44. Exploring QSAR modeling of toxicity of chemicals on earthworm

    Ecotoxicology and Environmental Safety1970journal article

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    0 cites

  45. Exploring QSAR models for assessment of acute fish toxicity of environmental transformation products of pesticides (ETPPs)

    Chemosphere1970journal article

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    0 cites

  46. QSPR modeling of adsorption of pollutants by carbon nanotubes (CNTs)

    Methods in Pharmacology and Toxicology1970book chapter

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    0 cites

  47. Exploring QSPR modeling for adsorption of hazardous synthetic organic chemicals (SOCs) by SWCNTs

    Chemosphere1970journal article

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    0 cites

  48. Predictive quantitative structure-property relationship (QSPR) modeling for adsorption of organic pollutants by carbon nanotubes (CNTs)

    Environmental Science: Nano1970journal article

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    0 cites

  49. Risk assessment of heterogeneous TiO<sub>2</sub>-based engineered nanoparticles (NPs): a QSTR approach using simple periodic table based descriptors

    Nanotoxicology1970journal article

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    0 cites

  50. Toward comprehension of multiple human cells uptake of engineered nano metal oxides: quantitative inter cell line uptake specificity (QICLUS) modeling

    Nanotoxicology1970journal article

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    0 cites

  51. Chemometric modeling of odor threshold property of diverse aroma components of wine†

    RSC Advances1970journal article

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    0 cites

  52. Development of a robust and validated 2D-QSPR model for sweetness potency of diverse functional organic molecules

    Food and Chemical Toxicology1970journal article

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    0 cites

  53. Is it possible to improve the quality of predictions from an “intelligent” use of multiple QSAR/QSPR/QSTR models?

    Journal of Chemometrics1970journal article

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    0 cites

  54. PLS regression-based chemometric modeling of odorant properties of diverse chemical constituents of black tea and coffee

    RSC Advances1970journal article

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    0 cites

  55. Physicochemical, pharmacokinetic, efficacy and toxicity profiling of a potential nitrofuranyl methyl piperazine derivative IIIM-MCD-211 for oral tuberculosis therapy via in-silico–in-vitro–in-vivo approach

    Pulmonary Pharmacology and Therapeutics1970journal article

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    0 cites

  56. Therapeutic implication of ‘Iturin A’ for targeting MD-2/TLR4 complex to overcome angiogenesis and invasion

    Cellular Signalling1970journal article

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    0 cites

  57. Diacerein-mediated inhibition of IL-6/IL-6R signaling induces apoptotic effects on breast cancer

    Oncogene1970journal article

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    0 cites

  58. The current status of Antimalarial drug research with special reference to application of QSAR models

    Combinatorial Chemistry and High Throughput Screening1970journal article

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    0 cites

  59. Discovery of mixed type thymidine phosphorylase inhibitors endowed with antiangiogenic properties: Synthesis, pharmacological evaluation and molecular docking study of 2-thioxo-pyrazolo[1,5-a][1,3,5]triazin-4-ones. Part II

    European Journal of Medicinal Chemistry1970journal article

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    0 cites

  60. Exploration of important sites of antimalarial endochins for optimum structural modification using group-based QSAR (G-QSAR) modeling

    Current Computer-Aided Drug Design1970journal article

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    0 cites

  61. Exploring structural requirements for a class of nucleoside inhibitors (PfdUTPase) as antimalarials: First report on QSAR, pharmacophore mapping and multiple docking studies

    Combinatorial Chemistry and High Throughput Screening1970journal article

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    0 cites

  62. First report on exploring structural requirements of 1,2,3,4- tetrahydroacridin-9(10h)-one analogs as antimalarials using multiple QSAR approaches: Descriptor-based QSAR, CoMFA-CoMSIA 3DQSAR, HQSAR and G-QSAR approaches

    Combinatorial Chemistry and High Throughput Screening1970journal article

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    0 cites

  63. First report on exploring structural requirements of alpha and beta thymidine analogs for PfTMPK inhibitory activity using in silico studies

    BioSystems1970journal article

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    0 cites

  64. Some case studies on application of "r<sub>m</sub><sup>2</sup>" metrics for judging quality of quantitative structure-activity relationship predictions: Emphasis on scaling of response data

    Journal of Computational Chemistry1970journal article

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    0 cites

  65. Comparative studies on some metrics for external validation of QSPR models

    Journal of Chemical Information and Modeling1970journal article

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    0 cites

  66. Introduction of r <sub>m</sub><sup>2</sup><sub>(rank)</sub> metric incorporating rank-order predictions as an additional tool for validation of QSAR/QSPR models

    Chemometrics and Intelligent Laboratory Systems1970journal article

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    0 cites

  67. Lead hopping for PfDHODH inhibitors as antimalarials based on pharmacophore mapping, molecular docking and comparative binding energy analysis (COMBINE): A three-layered virtual screening approach

    Molecular Informatics1970journal article

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    0 cites

  68. Comparative QSARs for antimalarial endochins: Importance of descriptor-thinning and noise reduction prior to feature selection

    Chemometrics and Intelligent Laboratory Systems1970journal article

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    0 cites

  69. Exploring QSAR, pharmacophore mapping and docking studies and virtual library generation for cycloguanil derivatives as PfDHFR-TS inhibitors

    Medicinal Chemistry1970journal article

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    0 cites

  70. Exploring molecular docking and QSAR studies of plasmepsin-II inhibitor di-tertiary amines as potential antimalarial compounds

    Molecular Simulation1970journal article

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    0 cites

  71. Further exploring r<sub>m</sub><sup>2</sup> metrics for validation of QSPR models

    Chemometrics and Intelligent Laboratory Systems1970journal article

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    0 cites

  72. Advances in quantitative structureactivity relationship models of antimalarials

    Expert Opinion on Drug Discovery1970journal article

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    0 cites

  73. Chemometric modeling, docking and in silico design of triazolopyrimidine- based dihydroorotate dehydrogenase inhibitors as antimalarials

    European Journal of Medicinal Chemistry1970journal article

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    0 cites

  74. Chemometric modelling of antimalarial activity of aryltriazolylhydroxamates

    Molecular Simulation1970journal article

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    0 cites

  75. On further application of r<sub>m</sub><sup>2</sup> as a metric for validation of QSAR models

    Journal of Chemometrics1970journal article

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    0 cites

  76. Development of CoMFA and CoMSIA models of cytotoxicity data of anti-HIV-1-phenylamino-1H-imidazole derivatives

    European Journal of Medicinal Chemistry1970journal article

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    0 cites