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K

Kunal Roy

Jadavpur University

62H指数
668论文数
1.9W被引数
收录论文 170
发表时间
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Quantitative read-across structure-activity relationship modeling for the prediction of pancreatic lipase inhibitory activity of dietary polyphenols and saponins as potential anti-obesity agents膳食多酚和皂苷作为潜在抗肥胖剂，其胰脂肪酶抑制活性的定量读跨构效关系建模预测
errFood Bioscience
IF5.9
err2026-07-23
err0
PREAI
errSomnath Ghosh; Sandip Maity; Souvik Pore; Vinay Kumar; Kunal Roy
err分享
err收藏
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基于化学计量学、机器学习和深度学习堆叠集成模型的有机化学品水溶性精确预测轮循测试
errJournal of Computer-Aided Molecular Design
IF3.1
err2026-06-08
err0
PREAI
errArkaprava Banerjee; Vinay Kumar; Shubha Das; Prodipta Bhattacharyya; Probir Kumar Ojha; Indrasis Dasgupta; Shovanlal Gayen; Yogendra Chandra; Partha Pratim Roy; Siyun Yang; Lu Li; Supratik Kar; Jyotsna Bhat-Ambure; Pravin Ambure; Kunal Roy
err分享
err收藏
A read-across data gap filling approach for the emission of Volatile Organic Compounds (VOCs) in plastic waste recycling塑料废弃物回收中挥发性有机化合物（VOCs）排放的读跨数据缺口填补方法
errNext Sustainability
IF0
err2026-06-01
err0
PREAI
errHossain, Md Mobarak; Roy, Kunal
err分享
err收藏
AI and ML for small molecule drug discovery in the big data era IV大数据时代小分子药物发现中的AI与机器学习IV
errMolecular Diversity
IF3.8
err2026-04-12
err0
PREAI
errKunal Roy
err分享
err收藏
Machine-learning driven structural space exploration for the characterization of the sweetness and bitterness profile of the most extensive set of organic compounds基于机器学习的结构空间探索，用于表征最广泛有机化合物集合的甜味和苦味谱特征
errJournal of the Indian Chemical Society
IF3.4
err2025-12-04
err0
PREAI
errShilpayan Ghosh; Sapna Kumari Pandey; Kunal Roy
err分享
err收藏
From Feature-Based Chemical Similarity to Chemical Language Models-A Paradigm Shift in Computer-Aided Molecular Design and Property Predictions从基于特征的化学相似性到化学语言模型——计算机辅助分子设计与性质预测领域的一场范式转变
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2025-11-12
err0
errOAAI
errBanerjee, Arkaprava; Kar, Supratik; Roy, Kunal; Patlewicz, Grace; Shah, Imran; Karamertzanis, Panagiotis G.; Gini, Giuseppina; Benfenati, Emilio
err分享
err收藏
Assessing biodegradability potential of organic chemicals in aquatic and soil environment through classification-based machine learning models developed in accordance with OECD standards通过基于分类的机器学习模型评估有机化学品在水和土壤环境中的生物降解潜力，该模型根据OECD标准开发。
errScience of The Total Environment
IF8
err2025-09-02
err0
PREAI
errShubham Kumar Pandey; Souvik Pore; Kunal Roy
err分享
err收藏
A new approach methodology (NAM) for carcinogenicity prediction of organic chemicals using the multiclass ARKA framework and machine-learning-based stacking regression一种用于有机化学品致癌性预测的新方法学（NAM），采用多类ARAKA框架和基于机器学习的堆叠回归
errJournal of Hazardous Materials
IF11.3
err2025-07-21
err0
PREAI
errArkaprava Banerjee; Kunal Roy
err分享
err收藏
“intelligent Read Across (iRA)”- A tool for read-across-based toxicity prediction of nanoparticles“智能跨读（iRA）”- 一种基于跨读原理的纳米颗粒毒性预测工具
errComputational and Structural Biotechnology Journal
IF4.1
err2025-07-17
err0
errOAAI
errSouvik Pore; Kunal Roy
err分享
err收藏
Prediction of bioconcentration factors (BCFs) and bioaccumulation factors (BAFs) for per- and polyfluoroalkyl substances (PFASs) using Read-Across and q-RASPR使用 Read-Across 和 q-RASPR 方法预测全氟和多氟烷基物质 (PFASs) 的生物富集因子 (BCFs) 和生物累积因子 (BAFs)。
errScience of The Total Environment
IF8
err2025-07-05
err0
PREAI
errAkash Chandra; Arkaprava Banerjee; Kunal Roy
err分享
err收藏
Development of Machine Learning-Based Models for Mutagenicity Predictions with Applications to Non-Sugar Sweeteners基于机器学习模型的致突变性预测及其在非糖甜味剂中的应用
errMolecular Informatics
IF3.1
err2025-06-16
err0
PREAI
errShilpayan Ghosh; Vinay Kumar; Kunal Roy
err分享
err收藏
Quantitative read-across structure-property relationship (q-RASPR)-based lipid-normalized dietary biomagnification (BMFL) prediction: A framework for evaluating biomagnification potential of organic chemicals in the aquatic ecosystem基于定量读跨结构-性质关系（q-RASPR）的脂质归一化膳食生物放大（BMFL）预测：一种评估有机化学品在 aquatic ecosystem 中生物放大潜力的框架
errAquatic Toxicology
IF4.3
err2025-06-04
err0
PREAI
errShubham Kumar Pandey; Kunal Roy
err分享
err收藏
Chronic and acute eco-toxicity modeling of carcinogenic and hazardous air pollutants toward humans for critical risk assessment and regulatory decision-making人类健康临界风险评估与监管决策的致癌及有害空气污染物的慢性与急性生态毒性建模
errComputational Toxicology
IF2.9
err2025-05-30
err0
PREAI
errAnkur Kumar; Probir Kumar Ojha; Kunal Roy
err分享
err收藏
Predictive classification-based read-across for diverse functional vitiligo-linked chemical exposomes (ViCE): A new approach for the assessment of chemical safety for the vitiligo disease in humans基于预测分类的异构白癜风相关化学暴露组（ViCE）读入法：一种评估人类白癜风疾病化学安全性的新方法
errTOXICOLOGY IN VITRO
IF2.7
err2025-04-01
err0
PREAI
errGhosh, Shilpayan; Pandey, Sapna Kumari; Roy, Kunal
err分享
err收藏
Embracing the changes and challenges with modern early drug discovery拥抱现代早期药物发现中的变化与挑战
errEXPERT OPINION ON DRUG DISCOVERY
IF4.9
err2025-03-19
err1
PREAI
errKumar, Vinay; Roy, Kunal
err分享
err收藏
The development of classification-based machine-learning models for the toxicity assessment of chemicals associated with plastic packaging基于分类的机器学习模型的开发，用于与塑料包装相关的化学物质的毒性评估
errJOURNAL OF HAZARDOUS MATERIALS
IF11.3
err2025-02-01
err0
PREAI
errHossain, Md Mobarak; Roy, Kunal
err分享
err收藏
Intelligent consensus-based predictions of early life stage toxicity in fish tested in compliance with OECD Test Guideline 210
errAQUATIC TOXICOLOGY
IF4.3
err2025-02-01
err0
PREAI
errPore, Souvik; Pelloux, Alexia; Bergqvist, Anders; Chatterjee, Mainak; Roy, Kunal
err分享
err收藏
The q-RASPR approach for predicting the property and fate of persistent organic pollutants预测持久性有机污染物性质和归宿的q-raspr方法
errSCIENTIFIC REPORTS
IF3.9
err2025-01-08
err0
errOAAI
errChang, Chia Ming; Banerjee, Arkaprava; Kumar, Vinay; Roy, Kunal; Benfenati, Emilio
err分享
err收藏
Machine learning assisted classification RASAR modeling for the nephrotoxicity potential of a curated set of orally active drugs机器学习辅助分类RASAR建模，用于一组精选的口服活性药物的肾毒性潜力
errSCIENTIFIC REPORTS
IF3.9
err2025-01-04
err0
errOAAI
errBanerjee, Arkaprava; Roy, Kunal
err分享
err收藏
A bibliometric analysis of the Cheminformatics/QSAR literature (2000-2023) for predictive modeling in data science using the SCOPUS database
errMOLECULAR DIVERSITY
IF3.8
err2024-12-05
err7
PREAI
errBanerjee, Arkaprava; Roy, Kunal; Gramatica, Paola
err分享
err收藏

研究方向

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合作学者
合作期刊
J
Jerzy Leszczyński
H 指数: 94 · 论文数: 1.4K
M
M Cronin
H 指数: 75 · 论文数: 698
E
Emilio Benfenati
H 指数: 65 · 论文数: 762
P
Paul L. A. Popelier
H 指数: 60 · 论文数: 335
G
Grace Patlewicz
H 指数: 58 · 论文数: 252
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