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Molecular Simulation Volume 43, 2017 - Issue 13-16: Proceedings of the 4th International Conference on Molecular Simulation
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Articles

Prediction of chemical biodegradability using computational methods

Zhixiong ZhanInstitute of Functional Nano and Soft Materials (FUNSOM), Soochow University, Suzhou, P.R. China
,
Linlang LiJiangsu Key Laboratory of Translational Research and Therapy for Neuro-Psycho-Diseases and College of Pharmaceutical Sciences, Soochow University, Suzhou, P.R. China
,
Sheng TianJiangsu Key Laboratory of Translational Research and Therapy for Neuro-Psycho-Diseases and College of Pharmaceutical Sciences, Soochow University, Suzhou, P.R. ChinaCorrespondence[email protected]
,
Xuechu ZhenJiangsu Key Laboratory of Translational Research and Therapy for Neuro-Psycho-Diseases and College of Pharmaceutical Sciences, Soochow University, Suzhou, P.R. ChinaCorrespondence[email protected]
&
Youyong LiInstitute of Functional Nano and Soft Materials (FUNSOM), Soochow University, Suzhou, P.R. ChinaCorrespondence[email protected]
Pages 1277-1290 | Received 12 Feb 2017, Accepted 02 May 2017, Published online: 12 Jun 2017

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A.M. Al-Fakih, Z.Y. Algamal & M.K. Qasim. (2022) An improved opposition-based crow search algorithm for biodegradable material classification. SAR and QSAR in Environmental Research 33:5, pages 403-415.
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Articles from other publishers (8)

Hongyan Yin, Cheng Lin, Yujia Tian & Aixia Yan. (2023) Prediction and Structure–Activity Relationship Analysis on Ready Biodegradability of Chemical Using Machine Learning Method. Chemical Research in Toxicology 36:4, pages 617-629.
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Kuan Huang & Huichun Zhang. (2022) Classification and Regression Machine Learning Models for Predicting Aerobic Ready and Inherent Biodegradation of Organic Chemicals in Water. Environmental Science & Technology 56:17, pages 12755-12764.
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Anil Kumar Singh, Muhammad Bilal, Hafiz M.N. Iqbal & Abhay Raj. (2022) In silico analytical toolset for predictive degradation and toxicity of hazardous pollutants in water sources. Chemosphere 292, pages 133250.
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Myeonghun Lee & Kyoungmin Min. (2022) A Comparative Study of the Performance for Predicting Biodegradability Classification: The Quantitative Structure–Activity Relationship Model vs the Graph Convolutional Network. ACS Omega 7:4, pages 3649-3655.
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Anil Kumar Singh, Muhammad Bilal, Hafiz M.N. Iqbal & Abhay Raj. (2021) Trends in predictive biodegradation for sustainable mitigation of environmental pollutants: Recent progress and future outlook. Science of The Total Environment 770, pages 144561.
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Alaa M. Elsayad, Ahmed M. Nassef, Mujahed Al-Dhaifallah & Khaled A. Elsayad. (2020) Classification of Biodegradable Substances Using Balanced Random Trees and Boosted C5.0 Decision Trees. International Journal of Environmental Research and Public Health 17:24, pages 9322.
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Weihao Tang, Yanying Li, Yang Yu, Zhongyu Wang, Tong Xu, Jingwen Chen, Jun Lin & Xuehua Li. (2020) Development of models predicting biodegradation rate rating with multiple linear regression and support vector machine algorithms. Chemosphere 253, pages 126666.
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Milena Jadrijević-Mladar Takač, Joao Daniel Casimiro Magina & Tin Takač. (2019) Evaluation of phenylethylamine type entactogens and their metabolites relevant to ecotoxicology – a QSAR study. Acta Pharmaceutica 69:4, pages 563-584.
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