Kunal Roy (K Roy)

Scopus Author ID ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 62

Top Venues

SAR and QSAR in environmental research

Environmental science. Processes & impacts

Molecular informatics

Chemical research in toxicology

Jadavpur University (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

Jadavpur University

India

PHD :: Pharmaceutical Technology

Publications

Arkaprava Banerjee, Kunal Roy
The application of chemical similarity measures in an unconventional modeling framework c-RASAR along with dimensionality reduction techniques to a representative hepatotoxicity dataset. Scientific reports 14 (1) (2024)
Arkaprava Banerjee, Supratik Kar, Kunal Roy, Grace Patlewicz, Nathaniel Charest, Emilio Benfenati, Mark T D Cronin
Molecular similarity in chemical informatics and predictive toxicity modeling: from quantitative read-across (q-RA) to quantitative read-across structure-activity relationship (q-RASAR) with the application of machine learning. Critical reviews in toxicology (2024)
Sulekha Ghosh, Mahesh T Chhabria, Kunal Roy
Chemometric modeling of pharmaceuticals for partitioning between sludge and aqueous phase during the wastewater treatment process. Environmental science and pollution research international 31 (21) (2024)
Arkaprava Banerjee, Kunal Roy
ARKA: a framework of dimensionality reduction for machine-learning classification modeling, risk assessment, and data gap-filling of sparse environmental toxicity data. Environmental science. Processes & impacts 26 (6) (2024)
Ankur Kumar, Probir Kumar Ojha, Kunal Roy
The first report on the assessment of maximum acceptable daily intake (MADI) of pesticides for humans using intelligent consensus predictions. Environmental science. Processes & impacts 26 (5) (2024)
Sulekha Ghosh, Mahesh T Chhabria, Kunal Roy
Chemometric modeling of pharmaceuticals for partitioning between sludge and aqueous phase during the wastewater treatment process. Environmental science and pollution research international (2024)
Joyita Roy, Kunal Roy
Exploring the relationships between physiochemical properties of nanoparticles and cell damage to combat cancer growth using simple periodic table-based descriptors. Beilstein journal of nanotechnology 15 (2024)
Vinay Kumar, Arkaprava Banerjee, Kunal Roy
Breaking the Barriers: Machine-Learning-Based c-RASAR Approach for Accurate Blood-Brain Barrier Permeability Prediction. Journal of chemical information and modeling (2024)
Vinay Kumar, Arkaprava Banerjee, Kunal Roy
Breaking the Barriers: Machine-Learning-Based c-RASAR Approach for Accurate Blood-Brain Barrier Permeability Prediction. Journal of chemical information and modeling 64 (10) (2024)
Joyita Roy, Kunal Roy
Exploring the relationships between physiochemical properties of nanoparticles and cell damage to combat cancer growth using simple periodic table-based descriptors. Beilstein journal of nanotechnology 15 (2024)
Souvik Pore, Arkaprava Banerjee, Kunal Roy
Application of machine learning-based read-across structure-property relationship (RASPR) as a new tool for predictive modelling: Prediction of power conversion efficiency (PCE) for selected classes of organic dyes in dye-sensitized solar cells (DSSCs). Molecular informatics (2024)
Souvik Pore, Arkaprava Banerjee, Kunal Roy
Application of machine learning-based read-across structure-property relationship (RASPR) as a new tool for predictive modelling: Prediction of power conversion efficiency (PCE) for selected classes of organic dyes in dye-sensitized solar cells (DSSCs). Molecular informatics 43 (4) (2024)
Arkaprava Banerjee, Kunal Roy
ARKA: a framework of dimensionality reduction for machine-learning classification modeling, risk assessment, and data gap-filling of sparse environmental toxicity data. Environmental science. Processes & impacts (2024)
Ankur Kumar, Probir Kumar Ojha, Kunal Roy
The first report on the assessment of maximum acceptable daily intake (MADI) of pesticides for humans using intelligent consensus predictions. Environmental science. Processes & impacts (2024)
Shilpayan Ghosh, Mainak Chatterjee, Kunal Roy
Predictive Quantitative Read-Across Structure-Property Relationship Modeling of the Retention Time (Log t R ) of Pesticide Residues Present in Foods and Vegetables. Journal of agricultural and food chemistry (2023)
Arkaprava Banerjee, Kunal Roy
Prediction-Inspired Intelligent Training for the Development of Classification Read-across Structure-Activity Relationship (c-RASAR) Models for Organic Skin Sensitizers: Assessment of Classification Error Rate from Novel Similarity Coefficients. Chemical research in toxicology (2023)
Mainak Chatterjee, Kunal Roy
Predictive binary mixture toxicity modeling of fluoroquinolones (FQs) and the projection of toxicity of hypothetical binary FQ mixtures: a combination of 2D-QSAR and machine-learning approaches. Environmental science. Processes & impacts (2023)
Arkaprava Banerjee, Kunal Roy
Read-across-based intelligent learning: development of a global q-RASAR model for the efficient quantitative predictions of skin sensitization potential of diverse organic chemicals. Environmental science. Processes & impacts (2023)
Arkaprava Banerjee, Kunal Roy
On Some Novel Similarity-Based Functions Used in the ML-Based q-RASAR Approach for Efficient Quantitative Predictions of Selected Toxicity End Points. Chemical research in toxicology 36 (3) (2023)
Arkaprava Banerjee, Kunal Roy
On Some Novel Similarity-Based Functions Used in the ML-Based q-RASAR Approach for Efficient Quantitative Predictions of Selected Toxicity End Points. Chemical research in toxicology 36 (3) (2023)
Arkaprava Banerjee, Agnieszka Gajewicz-Skretna, Kunal Roy
A machine learning q-RASPR approach for efficient predictions of the specific surface area of perovskites. Molecular informatics (2023)
Joyita Roy, Souvik Pore, Kunal Roy
Prediction of cytotoxicity of heavy metals adsorbed on nano-TiO 2 with periodic table descriptors using machine learning approaches. Beilstein journal of nanotechnology 14 (2023)
R Paul, J Roy, Kunal Roy
Prediction of soil ecotoxicity against Folsomia candida using acute and chronic endpoints. SAR and QSAR in environmental research 34 (4) (2023)
Arkaprava Banerjee, Kunal Roy
On Some Novel Similarity-Based Functions Used in the ML-Based q-RASAR Approach for Efficient Quantitative Predictions of Selected Toxicity End Points. Chemical research in toxicology (2023)
Arkaprava Banerjee, Supratik Kar, Souvik Pore, Kunal Roy
Efficient predictions of cytotoxicity of TiO 2 -based multi-component nanoparticles using a machine learning-based q-RASAR approach. Nanotoxicology (2023)
Arkaprava Banerjee, Kunal Roy
On Some Novel Similarity-Based Functions Used in the ML-Based q-RASAR Approach for Efficient Quantitative Predictions of Selected Toxicity End Points. Chemical research in toxicology 36 (3) (2023)
V Kumar, Supratik Kar, P De, Kunal Roy, Jerzy Leszczynski
Identification of potential antivirals against 3CLpro enzyme for the treatment of SARS-CoV-2: A multi-step virtual screening study. SAR and QSAR in environmental research 33 (5) (2022)
Arkaprava Banerjee, Kunal Roy
First report of q-RASAR modeling toward an approach of easy interpretability and efficient transferability. Molecular diversity 26 (5) (2022)
Priyanka De, Supratik Kar, Pravin Ambure, Kunal Roy
Prediction reliability of QSAR models: an overview of various validation tools. Archives of toxicology 96 (5) (2022)
Priyanka De, Vinay Kumar, Supratik Kar, Kunal Roy, Jerzy Leszczynski
Repurposing FDA approved drugs as possible anti-SARS-CoV-2 medications using ligand-based computational approaches: sum of ranking difference-based model selection. Structural chemistry 33 (5) (2022)
Kunal Roy
Applications of chem-bioinformatic, chemometric and machine learning approaches for COVID-19 related research. Structural chemistry 33 (5) (2022)
Rahul Paul, Mainak Chatterjee, Kunal Roy
First report on soil ecotoxicity prediction against Folsomia candida using intelligent consensus predictions and chemical read-across. Environmental science and pollution research international 29 (58) (2022)
Sulekha Ghosh, Mahesh T Chhabria, Kunal Roy
Exploring quantitative structure-property relationship models for environmental fate assessment of petroleum hydrocarbons. Environmental science and pollution research international (2022)
Joyita Roy, Kunal Roy
Modeling and mechanistic understanding of cytotoxicity of metal oxide nanoparticles (MeOxNPs) to Escherichia coli : categorization and data gap filling for untested metal oxides. Nanotoxicology 16 (2) (2022)
G K Jillella, Kunal Roy
QSAR modelling of organic dyes for their acute toxicity in Daphnia magna using 2D-descriptors. SAR and QSAR in environmental research 33 (2) (2022)
Joyita Roy, Kunal Roy
Nano-read-across predictions of toxicity of metal oxide engineered nanoparticles (MeOx ENPS) used in nanopesticides to BEAS-2B and RAW 264.7 cells. Nanotoxicology 16 (5) (2022)
Rajendra Kumar Mukherjee, Vinay Kumar, Kunal Roy
Ecotoxicological QSTR and QSTTR Modeling for the Prediction of Acute Oral Toxicity of Pesticides against Multiple Avian Species. Environmental science & technology 56 (1) (2021)
Probir Kumar Ojha, Vinay Kumar, Joyita Roy, Kunal Roy
Recent advances in quantitative structure-activity relationship models of antimalarial drugs. Expert opinion on drug discovery 16 (6) (2021)
P M Khan, Kunal Roy
QSPR modelling for investigation of different properties of aminoglycoside-derived polymers using 2D descriptors. SAR and QSAR in environmental research 32 (7) (2021)
V Kumar, Kunal Roy
Development of a simple, interpretable and easily transferable QSAR model for quick screening antiviral databases in search of novel 3C-like protease (3CLpro) enzyme inhibitors against SARS-CoV diseases. SAR and QSAR in environmental research 31 (7) (2020)
V Kumar, P K Ojha, Achintya Saha, Kunal Roy
Exploring 2D-QSAR for prediction of beta-secretase 1 (BACE1) inhibitory activity against Alzheimer's disease. SAR and QSAR in environmental research 31 (2) (2020)
Pathan Mohsin Khan, Kunal Roy
Chemometric Modelling of Heat Release Capacity, Total Heat Release and Char Formation of Polymers to Assess Their Flammability Characteristics. Molecular informatics (2020)
Shovonlal Bhowmick, Kunal Roy, Achintya Saha
Exploring CIP2A modulators using multiple molecular modeling approaches. Journal of biomolecular structure & dynamics (2020)
Probir Kumar Ojha, Supratik Kar, Jillella Gopala Krishna, Kunal Roy, Jerzy Leszczynski
Therapeutics for COVID-19: from computation to practices-where we are, where we are heading to. Molecular diversity 25 (1) (2020)
Pathan Mohsin Khan, Anna Lombardo, Emilio Benfenati, Kunal Roy
First report on chemometric modeling of hydrolysis half-lives of organic chemicals. Environmental science and pollution research international 28 (2) (2020)
Priyanka De, Sagar Bhayye, Vinay Kumar, Kunal Roy
In silico modeling for quick prediction of inhibitory activity against 3CLpro enzyme in SARS CoV diseases. Journal of biomolecular structure & dynamics (2020)
K Khan, Kunal Roy
Ecotoxicological QSAR modelling of organic chemicals against Pseudokirchneriella subcapitata using consensus predictions approach. SAR and QSAR in environmental research 30 (9) (2019)
Joyita Roy, Probir Kumar Ojha, Kunal Roy
Risk assessment of heterogeneous TiO2-based engineered nanoparticles (NPs): a QSTR approach using simple periodic table based descriptors. Nanotoxicology 13 (5) (2019)
P M Khan, Kunal Roy
Consensus QSPR modelling for the prediction of cellular response and fibrinogen adsorption to the surface of polymeric biomaterials. SAR and QSAR in environmental research 30 (5) (2019)
Pravin Ambure, Agnieszka Gajewicz-Skretna, Maria Natália Dias Soeiro Cordeiro, Kunal Roy
New Workflow for QSAR Model Development from Small Data Sets: Small Dataset Curator and Small Dataset Modeler. Integration of Data Curation, Exhaustive Double Cross-Validation, and a Set of Optimal Model Selection Techniques. Journal of chemical information and modeling 59 (10) (2019)
Sagar S Bhayye, Goutam Brahmachari, Nayana Nayek, Sujata Roy, Kunal Roy
Target prioritization of novel substituted 5-aryl-2-oxo-/thioxo-2,3-dihydro-1H-benzo[6,7]chromeno[2,3-d]pyrimidine-4,6,11(5H)-triones as anticancer agents using in-silico approach. Journal of biomolecular structure & dynamics 38 (5) (2019)
Kabiruddin Khan, Supratik Kar, Hans Sanderson, Kunal Roy, Jerzy Leszczynski
Ecotoxicological Modeling, Ranking and Prioritization of Pharmaceuticals Using QSTR and i-QSTTR Approaches: Application of 2D and Fragment Based Descriptors. Molecular informatics 38 (8-9) (2018)
Probir Kumar Ojha, Kunal Roy
Chemometric modeling of odor threshold property of diverse aroma components of wine. RSC advances 8 (9) (2018)
Rahul Balasaheb Aher, Kunal Roy
Design of antimalarial transmission blocking agents: Pharmacophore mapping of ligands active against stage-V mature gametocytes of Plasmodium falciparum. Journal of biomolecular structure & dynamics 37 (14) (2018)
P M Khan, Kunal Roy
QSPR modelling for prediction of glass transition temperature of diverse polymers. SAR and QSAR in environmental research 29 (12) (2018)
Pathan Mohsin Khan, Kunal Roy
Current approaches for choosing feature selection and learning algorithms in quantitative structure-activity relationships (QSAR). Expert opinion on drug discovery 13 (12) (2018)
Pravin Ambure, Jyotsna Bhat, Tomasz Puzyn, Kunal Roy
Identifying natural compounds as multi-target-directed ligands against Alzheimer's disease: an in silico approach. Journal of biomolecular structure & dynamics 37 (5) (2018)
Priyanka De, Rahul B Aher, Kunal Roy
Chemometric modeling of larvicidal activity of plant derived compounds against zika virus vector Aedes aegypti : application of ETA indices. RSC advances 8 (9) (2018)
Probir Kumar Ojha, Supratik Kar, Kunal Roy, Jerzy Leszczynski
Toward comprehension of multiple human cells uptake of engineered nano metal oxides: quantitative inter cell line uptake specificity (QICLUS) modeling. Nanotoxicology 13 (1) (2018)
Probir Kumar Ojha, Kunal Roy
PLS regression-based chemometric modeling of odorant properties of diverse chemical constituents of black tea and coffee. RSC advances 8 (5) (2018)
K Khan, Kunal Roy
Ecotoxicological modelling of cosmetics for aquatic organisms: A QSTR approach. SAR and QSAR in environmental research 28 (7) (2017)
R B Aher, Kunal Roy
Exploring the structural requirements in multiple chemical scaffolds for the selective inhibition of Plasmodium falciparum calcium-dependent protein kinase-1 (PfCDPK-1) by 3D-pharmacophore modelling, and docking studies. SAR and QSAR in environmental research 28 (5) (2017)

Kunal Roy.css-eqlu8i{font-size:small;padding-left:4px;} (K Roy)

Publication Activity (10 Years)

Top Topics

Top Venues

Kunal Roy (K Roy)