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P. Kumar, R. Singh, A. Kumar, A.P. Toropova, A.A. Toropov, M. Devi, S. Lal, J. Sindhu & D. Singh. (2022) Identifications of good and bad structural fragments of hydrazone/2,5-disubstituted-1,3,4-oxadiazole hybrids with correlation intensity index and consensus modelling using Monte Carlo based QSAR studies, their molecular docking and ADME analysis. SAR and QSAR in Environmental Research 33:9, pages 677-700.
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A.P. Toropova, A.A. Toropov, E.L. Viganò, E. Colombo, A. Roncaglioni & E. Benfenati. (2022) Carcinogenicity prediction using the index of ideality of correlation. SAR and QSAR in Environmental Research 33:6, pages 419-428.
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Articles from other publishers (8)
Parvin Kumar, Ashwani Kumar, Jayant Sindhu & Sohan Lal. (2023) Quasi-SMILES as a basis for the development of QSPR models to predict the CO2 capture capacity of deep eutectic solvents using correlation intensity index and consensus modelling. Fuel 345, pages 128237.
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Rahul Singh, Parvin Kumar, Jayant Sindhu, Meena Devi, Ashwani Kumar, Sohan Lal & Devender Singh. (2023) Parsing structural fragments of thiazolidin-4-one based α-amylase inhibitors: A combined approach employing in vitro colorimetric screening and GA-MLR based QSAR modelling supported by molecular docking, molecular dynamics simulation and ADMET studies. Computers in Biology and Medicine 157, pages 106776.
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Hamideh Hamzehali, Shahram Lotfi, Shahin Ahmadi & Parvin Kumar. (2022) Quantitative structure–activity relationship modeling for predication of inhibition potencies of imatinib derivatives using SMILES attributes. Scientific Reports 12:1.
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Rahul Singh, Parvin Kumar, Meena Devi, Sohan Lal, Ashwani Kumar, Jayant Sindhu, Alla P. Toropova, Andrey A. Toropov & Devender Singh. (2022) Monte Carlo based QSGFEAR: prediction of Gibb's free energy of activation at different temperatures using SMILES based descriptors. New Journal of Chemistry 46:39, pages 19062-19072.
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Parvin Kumar, Ashwani Kumar, Sohan Lal, Devender Singh, Shahram Lotfi & Shahin Ahmadi. (2022) CORAL: Quantitative Structure Retention Relationship (QSRR) of flavors and fragrances compounds studied on the stationary phase methyl silicone OV-101 column in gas chromatography using correlation intensity index and consensus modelling. Journal of Molecular Structure 1265, pages 133437.
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Andrey A. Toropov, Matteo R. Di Nicola, Alla P. Toropova, Alessandra Roncaglioni, Edoardo Carnesecchi, Nynke I. Kramer, Antony J. Williams, Manuel E. Ortiz-Santaliestra, Emilio Benfenati & Jean-Lou C.M. Dorne. (2022) A regression-based QSAR-model to predict acute toxicity of aromatic chemicals in tadpoles of the Japanese brown frog (Rana japonica): Calibration, validation, and future developments to support risk assessment of chemicals in amphibians. Science of The Total Environment 830, pages 154795.
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Filipa Lebre, Nivedita Chatterjee, Samantha Costa, Eli Fernández-de-Gortari, Carla Lopes, João Meneses, Luís Ortiz, Ana R. Ribeiro, Vânia Vilas-Boas & Ernesto Alfaro-Moreno. (2022) Nanosafety: An Evolving Concept to Bring the Safest Possible Nanomaterials to Society and Environment. Nanomaterials 12:11, pages 1810.
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Ashwani Kumar, Parvin Kumar & Devender Singh. (2022) QSRR modelling for the investigation of gas chromatography retention indices of flavour and fragrance compounds on Carbowax 20 M glass capillary column with the index of ideality of correlation and the consensus modelling. Chemometrics and Intelligent Laboratory Systems 224, pages 104552.
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