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SAR and QSAR in Environmental Research Volume 27, 2016 - Issue 7: Learning Methods Applied in QSAR and QSPR
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Articles

Room-temperature and temperature-dependent QSRR modelling for predicting the nitrate radical reaction rate constants of organic chemicals using ensemble learning methods

S. GuptaEnvironmental Chemistry Division, CSIR-Indian Institute of Toxicology Research, Lucknow, India
,
N. BasantETRC, Lucknow, India
,
D. MohanSchool of Environmental Sciences, Jawaharlal Nehru University, New Delhi, India
&
K. P. SinghEnvironmental Chemistry Division, CSIR-Indian Institute of Toxicology Research, Lucknow, IndiaCorrespondence[email protected]
Pages 539-558 | Received 11 Apr 2016, Accepted 06 Jun 2016, Published online: 07 Jul 2016

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R. Sheikhpour, M. A. Sarram, M. Rezaeian & E. Sheikhpour. (2018) QSAR modelling using combined simple competitive learning networks and RBF neural networks. SAR and QSAR in Environmental Research 29:4, pages 257-276.
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J. P. Doucet, E. Papa, A. Doucet-Panaye & J. Devillers. (2017) QSAR models for predicting the toxicity of piperidine derivatives against Aedes aegypti. SAR and QSAR in Environmental Research 28:6, pages 451-470.
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Articles from other publishers (10)

Chao Li, Hong-Bin Xie & Jingwen Chen. 2024. QSAR in Safety Evaluation and Risk Assessment. QSAR in Safety Evaluation and Risk Assessment 459 471 .
Jovana Krmar, Bojana Svrkota, Nevena Đajić, Jevrem Stojanović, Ana Protić & Biljana Otašević. 2023. Novel Aspects of Gas Chromatography and Chemometrics. Novel Aspects of Gas Chromatography and Chemometrics.
Emad Al Ibrahim & Aamir Farooq. (2022) Transfer Learning Approach to Multitarget Temperature-Dependent Reaction Rate Prediction. The Journal of Physical Chemistry A 126:28, pages 4617-4629.
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Bhaskar Bishayee, Rishya Prava Chatterjee, Biswajit Ruj, Sankha Chakrabortty & Jayato Nayak. (2022) Strategic management of nitrate pollution from contaminated water using viable adsorbents: An economic assessment-based review with possible policy suggestions. Journal of Environmental Management 303, pages 114081.
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Yiqing Zhang, Yongjun Xiao, Yicheng Zhang & Teik-Thye Lim. (2019) UV direct photolysis of halogenated disinfection byproducts: Experimental study and QSAR modeling. Chemosphere 235, pages 719-725.
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Zhiwen Cheng, Bowen Yang, Qincheng Chen, Xiaoping Gao, Yujia Tan, Tao Yuan & Zhemin Shen. (2018) Quantitative-Structure-Activity-Relationship (QSAR) models for the reaction rate and temperature of nitrogenous organic compounds in supercritical water oxidation (SCWO). Chemical Engineering Journal 354, pages 12-20.
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Zhiwen Cheng, Bowen Yang, Qincheng Chen, Zhemin Shen & Tao Yuan. (2018) Quantitative relationships between molecular parameters and reaction rate of organic chemicals in Fenton process in temperature range of 15.8 °C–60 °C. Chemical Engineering Journal 350, pages 534-540.
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Nikita Basant & Shikha Gupta. (2018) Multi-target QSPR modeling for simultaneous prediction of multiple gas-phase kinetic rate constants of diverse chemicals. Atmospheric Environment 177, pages 166-174.
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Shikha Gupta & Nikita Basant. (2017) Modeling the pH and temperature dependence of aqueousphase hydroxyl radical reaction rate constants of organic micropollutants using QSPR approach. Environmental Science and Pollution Research 24:32, pages 24936-24946.
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Rosa Becerra & Christian Pfrang. (2016) Kinetic Studies of Nitrate Radicals: Flash Photolysis at 193 nm. International Journal of Chemical Kinetics 48:12, pages 806-811.
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