| Current approaches for choosing feature selection and learning algorithms in quantitative structure–activity relationships (QSAR) PM Khan, K Roy Expert opinion on drug discovery 13 (12), 1075-1089, 2018 | 98 | 2018 |
| QSAR modeling of Daphnia magna and fish toxicities of biocides using 2D descriptors K Khan, PM Khan, G Lavado, C Valsecchi, J Pasqualini, D Baderna, ... Chemosphere 229, 8-17, 2019 | 93 | 2019 |
| Chemometric modeling of Daphnia magna toxicity of agrochemicals PM Khan, K Roy, E Benfenati Chemosphere 224, 470-479, 2019 | 45 | 2019 |
| QSPR modeling of the refractive index for diverse polymers using 2D descriptors PM Khan, B Rasulev, K Roy ACS omega 3 (10), 13374-13386, 2018 | 41 | 2018 |
| QSPR modelling for prediction of glass transition temperature of diverse polymers PM Khan, K Roy SAR and QSAR in Environmental Research 29 (12), 935-956, 2018 | 19 | 2018 |
| Chemometric modeling to predict air half-life of persistent organic pollutants (POPs) PM Khan, D Baderna, A Lombardo, K Roy, E Benfenati Journal of hazardous materials 382, 121035, 2020 | 18 | 2020 |
| In silico modeling of small molecule carboxamides as inhibitors of SARS-CoV 3CL protease: an approach towards combating COVID-19 PM Khan, V Kumar, K Roy Combinatorial Chemistry & High Throughput Screening 24 (8), 1281-1299, 2021 | 8 | 2021 |
| QSPR modelling for investigation of different properties of aminoglycoside-derived polymers using 2D descriptors PM Khan, K Roy SAR and QSAR in Environmental Research 32 (7), 595-614, 2021 | 7 | 2021 |
| Chemometric modelling of heat release capacity, total heat release and char formation of polymers to assess their flammability characteristics PM Khan, K Roy Molecular Informatics 41 (1), 2000030, 2022 | 5 | 2022 |
| Ecotoxicological QSARs of mixtures PM Khan, S Kar, K Roy Ecotoxicological QSARs, 437-475, 2020 | 5 | 2020 |
| Consensus QSPR modelling for the prediction of cellular response and fibrinogen adsorption to the surface of polymeric biomaterials PM Khan, K Roy SAR and QSAR in Environmental Research 30 (5), 363-382, 2019 | 5 | 2019 |
| QSTR and interspecies-QSTR modelling for aquatic toxicity data gap filling of cationic polymers PM Khan, H Sanderson, K Roy Computational Toxicology 20, 100181, 2021 | 4 | 2021 |
| First report on chemometric modeling of hydrolysis half-lives of organic chemicals PM Khan, A Lombardo, E Benfenati, K Roy Environmental Science and Pollution Research 28, 1627-1642, 2021 | 4 | 2021 |
| Recent advancements in QSAR and machine learning approaches for risk assessment of organic chemicals PM Khan, GK Jillella, K Roy QSAR in safety evaluation and risk assessment, 167-185, 2023 | 3 | 2023 |
| QSAR modeling of aquatic toxicity of cationic polymers H Sanderson, PM Khan, S Kar, K Roy, AMB Hansen, K Connors, ... Chemometrics and cheminformatics in aquatic toxicology, 433-451, 2021 | 3 | 2021 |
| Chemometric modeling of refractive index of polymers using 2D descriptors: A QSPR approach PM Khan, B Rasulev, K Roy Comput Mater Sci 137, 215-224, 2017 | 2 | 2017 |
| Corrigendum to" QSAR modeling of Daphnia magna and fish toxicities of biocides using 2D descriptors"[Chemosphere 229 (2019) 8-17] K Khan, PM Khan, G Lavado, C Valsecchi, J Pasqualini, D Baderna, ... Chemosphere 237, 124397, 2019 | | 2019 |
| QSAR modeling of Daphnia magna and fish toxicities of biocides using 2D descriptors. KK Kabiruddin Khan, PM Khan, G Lavado, C Valsecchi, J Pasqualini, ... | | 2019 |
| Consensus Quantitative Structure Property Relationship Modelling of Different Property and Toxicity Endpoints of Polymers Using 2D Descriptors PM Khan KOLKATA, 0 | | |
KUNAL ROYProfessor, Jadavpur University, DTC Laboratory, Dept. Pharmaceutical Technology, India在 jadavpuruniversity.in 的电子邮件经过验证
