Kunal Roy

66PUBLICATIONS
37CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsEnvironmental biogeochemistryDeep learningAdversarial machine learningReaction engineering (excl. nuclear reactions)
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Publications (66)

|Jun 08, 2026
A round-robin exercise for the precise prediction of aqueous solubility of organic chemicals using chemometric, machine learning, and stacking ensemble of deep learning models.

|Mar 25, 2026
Machine Learning-Based Quantitative Structure Activity Relationship Modeling of Repeated Dose Toxicity: A Data-Driven Approach Following Organisation for Economic Co-operation and Development Test Guidelines 407, 408, and 422 Supported by Experimental Validation.

Souvik Pore, Zsuzsanna Szepesi, Kunal Roy

|Jan 23, 2026
Comparative machine learning and deep learning frameworks for robust carcinogenicity prediction and activity cliff analysis.

Arkaprava Banerjee, Vinay Kumar, Kunal Roy

|Aug 15, 2025
Machine learning-based q-RASAR modelling for the in silico identification of novel α7nAChR agonists for anti-Alzheimer's drug discovery.

V Kumar, K Roy

|Jun 16, 2025
Development of Machine Learning-Based Models for Mutagenicity Predictions with Applications to Non-Sugar Sweeteners.

Shilpayan Ghosh, Vinay Kumar, Kunal Roy

|Apr 14, 2025
The multiclass ARKA framework for developing improved q-RASAR models for environmental toxicity endpoints.

Arkaprava Banerjee, Kunal Roy

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Frequent Collaborators

19 joint publications

Arkaprava Banerjee

8 joint publications

Supratik Kar

5 joint publications

Vinay Kumar

3 joint publications

Jerzy Leszczynski