Kunal Roy

66PUBLICATIONS

37CO-AUTHORS

Cheminformatics and quantitative structure-activity relationshipsBiomolecular modelling and designEnvironmental biogeochemistryMicro- and nanosystemsDeep learning

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Publications (66)

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|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.

|Apr 12, 2026

AI and ML for small molecule drug discovery in the big data era IV.

Kunal Roy

|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

|Mar 12, 2026

Nanoinformatics: spanning scales, systems and solutions.

Iseult Lynch, Diego S T Martinez, 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

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Frequent Collaborators

19 joint publications

Arkaprava Banerjee

Supratik Kar

Vinay Kumar

Jerzy Leszczynski

Joyita Roy

Achintya Saha

Emilio Benfenati

Pravin Ambure

Agnieszka Gajewicz-Skretna

2 joint publications

Probir Kumar Ojha

Frequent Collaborators

19 joint publications

Arkaprava Banerjee

8 joint publications

Supratik Kar

5 joint publications

Vinay Kumar

3 joint publications

Jerzy Leszczynski