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J. Devillers, J.P. Doucet, A. Doucet-Panaye, A. Decourtye & P. Aupinel. (2012) Linear and non-linear QSAR modelling of juvenile hormone esterase inhibitors. SAR and QSAR in Environmental Research 23:3-4, pages 357-369.
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J. Tong, T. Che, Y. Li, P. Wang, X. Xu & Y. Chen. (2011) A descriptor of amino acids: SVRG and its application to peptide quantitative structure–activity relationship. SAR and QSAR in Environmental Research 22:5-6, pages 611-620.
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Articles from other publishers (30)
Ankur Kumar, Trina Podder, Vinay Kumar & Probir Kumar Ojha. (2023) Risk assessment of aromatic organic chemicals to T. pyriformis in environmental protection using regression-based QSTR and Read-Across algorithm. Process Safety and Environmental Protection 170, pages 842-854.
Crossref
Crossref
Zhengjun Fang, Xinliang Yu & Qun Zeng. (2022) Random forest algorithm-based accurate prediction of chemical toxicity to Tetrahymena pyriformis. Toxicology 480, pages 153325.
Crossref
Crossref
Amena Ali. (2022) Development of antidiabetic drugs from benzamide derivatives as glucokinase activator: A computational approach. Saudi Journal of Biological Sciences 29:5, pages 3313-3325.
Crossref
Crossref
Mohammad Hossein Keshavarz, Zeinab Shirazi & Parvin Kiani Sheikhabadi. (2021) Risk assessment of organic aromatic compounds to Tetrahymena pyriformis in environmental protection by a simple QSAR model. Process Safety and Environmental Protection 150, pages 137-147.
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Crossref
Zheng-Yang Zhao, Wen-Zhun Huang, Jie Pan, Yu-An Huang, Shan-Wen Zhang & Chang-Qing Yu. (2021) A Sparse Feature Extraction Method with Elastic Net for Drug-Target Interaction Identification. Scientific Programming 2021, pages 1-10.
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Crossref
Xinliang Yu. (2020) Prediction of chemical toxicity to Tetrahymena pyriformis with four-descriptor models. Ecotoxicology and Environmental Safety 190, pages 110146.
Crossref
Crossref
Chérif F Matta & Michael C Hutter. (2018) Ask the experts: computational chemistry. Future Medicinal Chemistry 10:13, pages 1521-1524.
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Jianbo Tong, Lingxiao Li, Min Bai & Kangnan Li. (2017) A New Descriptor of Amino Acids-SVGER and its Applications in Peptide QSAR. Molecular Informatics 36:5-6, pages 1501023.
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Xiao Li, Ning Li, Zhenyu Sui, Kaishun Bi & Zuojing Li. (2017) An Investigation on the Quantitative Structure-Activity Relationships of the Anti-Inflammatory Activity of Diterpenoid Alkaloids. Molecules 22:3, pages 363.
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Anna Rybinska, Anita Sosnowska, Maciej Barycki & Tomasz Puzyn. (2016) Geometry optimization method versus predictive ability in QSPR modeling for ionic liquids. Journal of Computer-Aided Molecular Design 30:2, pages 165-176.
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Chérif F. Matta. (2014) Modeling biophysical and biological properties from the characteristics of the molecular electron density, electron localization and delocalization matrices, and the electrostatic potential. Journal of Computational Chemistry 35:16, pages 1165-1198.
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Supratik Kar, Agnieszka Gajewicz, Tomasz Puzyn & Kunal Roy. (2014) Nano-quantitative structure–activity relationship modeling using easily computable and interpretable descriptors for uptake of magnetofluorescent engineered nanoparticles in pancreatic cancer cells. Toxicology in Vitro 28:4, pages 600-606.
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Supratik Kar & Kunal Roy. (2013)
Predictive Chemometric Modeling and Three-Dimensional Toxicophore Mapping of Diverse Organic Chemicals Causing Bioluminescent Repression of the Bacterium Genus
Pseudomonas
. Industrial & Engineering Chemistry Research 52:49, pages 17648-17657.
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Xiaoyan Yang, Minjie Li, Qiang Su, Milin Wu, Tianhong Gu & Wencong Lu. (2013) QSAR studies on pyrrolidine amides derivatives as DPP-IV inhibitors for type 2 diabetes. Medicinal Chemistry Research 22:11, pages 5274-5283.
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Jianbo Tong, Xiameng Xu, Shuling Liu, Ting Che, Yunfei Li, Zhe Hu & Yuanliang Meng. (2013) Prediction of glass transition temperature of polyacrylate using a quantitative structure property relationship model. Polymer Science Series A 55:8, pages 487-492.
Crossref
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Mark Z. Griffiths, Ibon Alkorta & Paul L. A. Popelier. (2013)
Predicting p
K
a
Values in Aqueous Solution for the Guanidine Functional Group from Gas Phase Ab Initio Bond Lengths
. Molecular Informatics 32:4, pages 363-376.
Crossref
Crossref
Supratik Kar & Kunal Roy. (2013) First report on predictive chemometric modeling, 3D-toxicophore mapping and in silico screening of in vitro basal cytotoxicity of diverse organic chemicals. Toxicology in Vitro 27:2, pages 597-608.
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Supratik Kar & Kunal Roy. (2012) Prediction of hERG Potassium Channel Blocking Actions Using Combination of Classification and Regression Based Models: A Mixed Descriptors Approach. Molecular Informatics 31:11-12, pages 879-894.
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Jianbo Tong, Yang Chen, Shuling Liu, Ting Che & Xiameng Xu. (2012) A descriptor of amino acids SVWG and its applications in peptide QSAR. Journal of Chemometrics 26:10, pages 549-555.
Crossref
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S. Yousefinejad, B. Hemmateenejad & A. R. Mehdipour. (2012) New autocorrelation QTMS-based descriptors for use in QSAM of peptides. Journal of the Iranian Chemical Society 9:4, pages 569-577.
Crossref
Crossref
Jing Chen, Yuan Yan Tang, Bin Fang & Chang Guo. (2012) In silico prediction of toxic action mechanisms of phenols for imbalanced data with Random Forest learner. Journal of Molecular Graphics and Modelling 35, pages 21-27.
Crossref
Crossref
Supratik Kar & Kunal Roy. (2012) First report on development of quantitative interspecies structure–carcinogenicity relationship models and exploring discriminatory features for rodent carcinogenicity of diverse organic chemicals using OECD guidelines. Chemosphere 87:4, pages 339-355.
Crossref
Crossref
Dayong Tian, Zhifen Lin, Daqiang Yin, Yalei Zhang & Deyang Kong. (2012) Atomic charges of individual reactive chemicals in binary mixtures determine their joint effects: An example of cyanogenic toxicants and aldehydes. Environmental Toxicology and Chemistry 31:2, pages 270-278.
Crossref
Crossref
Jianbo Tong, Ting Che, Shuling Liu, Yunfei Li, Ping Wang, Xiameng Xu & Yang Chen. (2011) SVEEVA Descriptor Application to Peptide QSAR. Archiv der Pharmazie 344:11, pages 719-725.
Crossref
Crossref
A. P. Toropova, A. A. Toropov, E. Benfenati, G. Gini, D. Leszczynska & J. Leszczynski. (2011) CORAL: Quantitative structure-activity relationship models for estimating toxicity of organic compounds in rats. Journal of Computational Chemistry 32:12, pages 2727-2733.
Crossref
Crossref
Probir Kumar Ojha, Indrani Mitra, Rudra Narayan Das & Kunal Roy. (2011) Further exploring rm2 metrics for validation of QSPR models. Chemometrics and Intelligent Laboratory Systems 107:1, pages 194-205.
Crossref
Crossref
Feixiong Cheng, Jie Shen, Yue Yu, Weihua Li, Guixia Liu, Philip W. Lee & Yun Tang. (2011) In silico prediction of Tetrahymena pyriformis toxicity for diverse industrial chemicals with substructure pattern recognition and machine learning methods. Chemosphere 82:11, pages 1636-1643.
Crossref
Crossref
A.P. Harding & P.L.A. Popelier. (2011) pKa prediction from an ab initio bond length: Part 3?benzoic acids and anilines. Physical Chemistry Chemical Physics 13:23, pages 11283.
Crossref
Crossref
A. P. Harding & P. L. A. Popelier. (2011) pKa Prediction from an ab initio bond length: part 2—phenols. Physical Chemistry Chemical Physics 13:23, pages 11264.
Crossref
Crossref
Kunal Roy & Rudra Narayan Das. (2010) QSTR with extended topochemical atom (ETA) indices. 14. QSAR modeling of toxicity of aromatic aldehydes to Tetrahymena pyriformis. Journal of Hazardous Materials 183:1-3, pages 913-922.
Crossref
Crossref