BOOK CHAPTERS
Khan, Kabiruddin, and Kunal Roy. "In silico modeling of environmental toxicity of drugs." In Contemporary Chemical Approaches for Green and Sustainable Drugs, pp. 129-154, Elsevier, 2022
Kabiruddin Khan, and Kunal Roy*. “Chemometric Modeling of Toxicity of Chemicals to Marine Bacteria.” Chemometrics and Cheminformatics in Aquatic Toxicology, pp.359-376.
Kabiruddin Khan, and Kunal Roy*. “Chemometric modeling of toxicity of chemicals to Tadpoles.” Chemometrics and Cheminformatics in Aquatic Toxicology (2021): 331-357.
Mohammed Kaleem, Mahmoud Alhosin, Kabiruddin Khan, ….., Epigenetic Basis of Polyphenols in Cancer Prevention and Therapy. In Polyphenols-based Nanotherapeutics for Cancer Management, pp. 189-238. Springer, Singapore, 2021.
Aher, Rahul Balasaheb, Kabiruddin Khan, and Kunal Roy. "A Brief Introduction to Quantitative Structure-Activity Relationships as Useful Tools in Predictive Ecotoxicology." In Ecotoxicological QSARs, pp. 27-53. Humana, New York, NY, 2020.
Khan, Kabiruddin, Hans Sanderson, and Kunal Roy. "Ecotoxicological QSARs of Personal Care Products and Biocides." In Ecotoxicological QSARs, pp. 357-386. Humana, New York, NY, 2020.
Sanderson, Hans, Kabiruddin Khan, Anna M. Brun Hansen, Kristin Connors, Monica W. Lam, Kunal Roy, and Scott Belanger. "Environmental Toxicity (Q) SARs for Polymers as an Emerging Class of Materials in Regulatory Frameworks, with a Focus on Challenges and Possibilities Regarding Cationic Polymers." In Ecotoxicological QSARs, pp. 681-705. Humana, New York, NY, 2020.
RESEARCH/REVIEW ARTICLES
Khan, Kabiruddin, Supratik Kar, and Kunal Roy. "Are We Ready to Combat the Ecotoxicity of COVID-19 Pharmaceuticals? An In Silico Aquatic Risk Assessment." Aquatic Toxicology (2023): 106416 (I.F: 5.202).
Khan, Kabiruddin, Vinay Kumar, Erika Colombo, Anna Lombardo, Emilio Benfenati, and Kunal Roy. "Intelligent consensus predictions of bioconcentration factor of pharmaceuticals using 2D and fragment-based descriptors." Environment International 170 (2022): 107625 (I.F: 13.352).
Khan, Kabiruddin, and Kunal Roy. “Ecotoxicological Risk Assessment of Organic Compounds Against Various Aquatic and Terrestrial Species: Application of Interspecies i-QSTTR and Species Sensitivity Distributions Techniques” Green Chemistry (2022). (I.F: 11.034)
Jillella, Gopala Krishna, Kabiruddin Khan, and Kunal Roy. "Application of QSARs in identification of mutagenicity mechanisms of nitro and amino aromatic compounds against Salmonella typhimurium species." Toxicology in Vitro 65 (2020): 104768. (I.F: 3.685)
Khan, Kabiruddin, and Probir Kumar Ojha. "Ecotoxicological Modeling of Organic Chemicals for Their Acute Toxicity in Algae Using Classification and Toxicophore-Based Approaches." International Journal of Quantitative Structure-Property Relationships (IJQSPR) 5, no. 2 (2020). (I.F: N.A)
Khan, K., and K. Roy. "Ecotoxicological QSAR modelling of organic chemicals against Pseudokirchneriella subcapitata using consensus predictions approach." SAR and QSAR in Environmental Research 30, no. 9 (2019): 665-681. (I.F: 3.681)
Khan, Kabiruddin, Pathan Mohsin Khan, Giovanna Lavado, Cecile Valsecchi, Julia Pasqualini, Diego Baderna, Marco Marzo, Anna Lombardo, Kunal Roy, and Emilio Benfenati. "QSAR modeling of Daphnia magna and fish toxicities of biocides using 2D descriptors." Chemosphere 229 (2019): 8-17. (I.F: 8.943)
Khan, Kabiruddin, Supratik Kar, Hans Sanderson, Kunal Roy, and 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, no. 8-9 (2019): 1800078. (I.F: 4.050)
Khan, Kabiruddin, Diego Baderna, Claudia Cappelli, Cosimo Toma, Anna Lombardo, Kunal Roy, and Emilio Benfenati. "Ecotoxicological QSAR modeling of organic compounds against fish: Application of fragment based descriptors in feature analysis." Aquatic Toxicology 212 (2019): 162-174. (I.F: 5.2020)
Khan, Kabiruddin, Kunal Roy, and Emilio Benfenati. "Ecotoxicological QSAR modeling of endocrine disruptor chemicals." Journal of hazardous materials 369 (2019): 707-718. (I.F: 14.224)
Khan, Kabiruddin, Emilio Benfenati, and Kunal Roy. "Consensus QSAR modeling of toxicity of pharmaceuticals to different aquatic organisms: ranking and prioritization of the DrugBank database compounds." Ecotoxicology and environmental safety 168 (2019): 287-297. (I.F: 7.129)
Khan, K., and K. Roy. "Ecotoxicological modelling of cosmetics for aquatic organisms: A QSTR approach." SAR and QSAR in Environmental Research 28, no. 7 (2017): 567-594. (I.F: 3.681)