Citations (33)
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D. Kovács, P. Király & G. Tóth. (2021) Sample-size dependence of validation parameters in linear regression models and in QSAR. SAR and QSAR in Environmental Research 32:4, pages 247-268.
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Partha Pratim Roy & Kunal Roy. (2010) Pharmacophore mapping, molecular docking and QSAR studies of structurally diverse compounds as CYP2B6 inhibitors. Molecular Simulation 36:11, pages 887-905.
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S. Kar, A.P. Harding, K. Roy & P.L.A. Popelier. (2010) QSAR with quantum topological molecular similarity indices: toxicity of aromatic aldehydes to Tetrahymena pyriformis
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Sumit K. Rastogi, Danish Equbal, Santosh Kumar, Gayathri P. R., Ravindra Kumar & Arun K. Sinha. (2023)
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Chandrasekhar Gopalakrishnan, Caixia Xu, Yanran Li, Vinutha Anandhan, Sanjay Gangadharan, Meshach Paul, Chandra Sekar Ponnusamy, Rajasekaran Ramalingam, Pengyong Han & Zhengwei Li. 2022. Intelligent Computing Theories and Application. Intelligent Computing Theories and Application
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Amer Hosny, Mark Ashton, Yu Gong & Ken McGarry. (2020) The development of a predictive model to identify potential HIV-1 attachment inhibitors. Computers in Biology and Medicine 120, pages 103743.
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María Virginia Sabando, Ignacio Ponzoni & Axel J. Soto. (2019) Neural-based approaches to overcome feature selection and applicability domain in drug-related property prediction. Applied Soft Computing 85, pages 105777.
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Amit Kumar Halder & M. Natália D. S. Cordeiro. (2019) Development of Predictive Linear and Non-linear QSTR Models for Aliivibrio Fischeri Toxicity of Deep Eutectic Solvents. International Journal of Quantitative Structure-Property Relationships 4:4, pages 50-69.
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Shehnaz Fatima, Divyani Pal & Subhash Mohan Agarwal. (2019) QSAR of clinically important EGFR mutant L858R/T790M pyridinylimidazole inhibitors. Chemical Biology & Drug Design 94:1, pages 1306-1315.
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Paria Ghaemian & Ali Shayanfar. (2019) Image-based QSAR Model for the Prediction of P-gp Inhibitory Activity of Epigallocatechin and Gallocatechin Derivatives. Current Computer-Aided Drug Design 15:3, pages 212-224.
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Ashima Nagpal & Monika Chauhan. (2019)
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Swathik Clarancia Peter, Jaspreet Kaur Dhanjal, Vidhi Malik, Navaneethan Radhakrishnan, Mannu Jayakanthan & Durai Sundar. 2019. Encyclopedia of Bioinformatics and Computational Biology. Encyclopedia of Bioinformatics and Computational Biology
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Mabrouk Hamadache, Othmane Benkortbi, Salah Hanini & Abdeltif Amrane. (2017) QSAR modeling in ecotoxicological risk assessment: application to the prediction of acute contact toxicity of pesticides on bees (Apis mellifera L.). Environmental Science and Pollution Research 25:1, pages 896-907.
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Gordon W. Gribble. 2016. Indole Ring Synthesis. Indole Ring Synthesis
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Nikita Basant, Shikha Gupta & Kunwar P. Singh. (2016) Modeling the toxicity of chemical pesticides in multiple test species using local and global QSTR approaches. Toxicology Research 5:1, pages 340-353.
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Saeed Yousefinejad & Bahram Hemmateenejad. (2015) Chemometrics tools in QSAR/QSPR studies: A historical perspective. Chemometrics and Intelligent Laboratory Systems 149, pages 177-204.
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Partha Pratim Roy, Supratim Ray & Kunal Roy. 2015. Handbook of Genetic Programming Applications. Handbook of Genetic Programming Applications
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Eslam Pourbasheer, Abolghasem Beheshti, Habibollah Khajehsharifi, Mohammad Reza Ganjali & Parviz Norouzi. (2012) QSAR study on hERG inhibitory effect of kappa opioid receptor antagonists by linear and non-linear methods. Medicinal Chemistry Research 22:9, pages 4047-4058.
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Zhi Min Cao, Zhen Zhen Wu & Zhi Fen Lin. (2013) QSAR Study on Toxic Effects of Reactive Organic Compounds. Advanced Materials Research 726-731, pages 175-178.
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Kunal Roy & Humayun Kabir. (2013) QSPR with extended topochemical atom (ETA) indices: Exploring effects of hydrophobicity, branching and electronic parameters on logCMC values of anionic surfactants. Chemical Engineering Science 87, pages 141-151.
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Haikuan Wang, Xiaojie Wang, Xiaolu Li, Yehong Zhang, Yujie Dai, Changlu Guo & Heng Zheng. (2012) QSAR study and the hydrolysis activity prediction of three alkaline lipases from different lipase-producing microorganisms. Lipids in Health and Disease 11:1.
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Li-Ming Tao, Wen-Qi Liu, Yun Zhou & Ai-Tao Li. (2012) Metal-Free Synthesis of 3-Sulfenylindoles via an Iodine-Mediated Electrophilic Cyclisation of 2-Alkynylanilines with Disulfides. Journal of Chemical Research 36:11, pages 644-646.
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Kunal Roy & Humayun Kabir. (2012) QSPR with extended topochemical atom (ETA) indices, 3: Modeling of critical micelle concentration of cationic surfactants. Chemical Engineering Science 81, pages 169-178.
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Kunal Roy & Humayun Kabir. (2012) QSPR with extended topochemical atom (ETA) indices: Modeling of critical micelle concentration of non-ionic surfactants. Chemical Engineering Science 73, pages 86-98.
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Surendra Kumar, Vineet Singh & Meena Tiwari. (2010) QSAR modeling of the inhibition of reverse transcriptase enzyme with benzimidazolone analogs. Medicinal Chemistry Research 20:9, pages 1530-1541.
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Isela García, Yagamare Fall, Xerardo García-Mera & Francisco Prado-Prado. (2011) Theoretical study of GSK−3α: neural networks QSAR studies for the design of new inhibitors using 2D descriptors. Molecular Diversity 15:4, pages 947-955.
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Supratik Kar & Kunal Roy. (2010) First report on interspecies quantitative correlation of ecotoxicity of pharmaceuticals. Chemosphere 81:6, pages 738-747.
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Partha Pratim Roy & Kunal Roy. (2010) Docking and 3D-QSAR studies of diverse classes of human aromatase (CYP19) inhibitors. Journal of Molecular Modeling 16:10, pages 1597-1616.
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Supratik Kar & Kunal Roy. (2010) QSAR modeling of toxicity of diverse organic chemicals to Daphnia magna using 2D and 3D descriptors. Journal of Hazardous Materials 177:1-3, pages 344-351.
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Yan‐Jin Guo, Ri‐Yuan Tang, Jin‐Heng Li, Ping Zhong & Xing‐Guo Zhang. (2009) Palladium‐Catalyzed Annulation of 2‐(1‐Alkynyl)benzenamines with Disulfides: Synthesis of 3‐Sulfenylindoles. Advanced Synthesis & Catalysis 351:16, pages 2615-2618.
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Partha Pratim Roy & Kunal Roy. (2009) QSAR Studies of CYP2D6 Inhibitor Aryloxypropanolamines Using 2D and 3D Descriptors. Chemical Biology & Drug Design 73:4, pages 442-455.
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Kunal Roy & Paul L.A. Popelier. (2008) Exploring predictive QSAR models for hepatocyte toxicity of phenols using QTMS descriptors. Bioorganic & Medicinal Chemistry Letters 18:8, pages 2604-2609.
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