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SAR and QSAR in Environmental Research Volume 12, 2001 - Issue 6
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Original Articles

Quantitative Structure-Activity Relationships Based on Functional and Structural Characteristics of Organic Compounds

S. A. Kulkarni Toxic Waste Management Division, National Environmental Engineering Research Institute (NEERI), Nehru Marg, Nagpur, 440 020, MS, India
,
D. V. Raje Toxic Waste Management Division, National Environmental Engineering Research Institute (NEERI), Nehru Marg, Nagpur, 440 020, MS, India
&
T. Chakrabarti Toxic Waste Management Division, National Environmental Engineering Research Institute (NEERI), Nehru Marg, Nagpur, 440 020, MS, India
Pages 565-591 | Received 10 Mar 2001, Accepted 16 Jul 2001, Published online: 05 Oct 2006

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Y. Wang, M. Zheng, J. Xiao, Y. Lu, F. Wang, J. Lu, X. Luo, W. Zhu, H. Jiang & K. Chen. (2010) Using support vector regression coupled with the genetic algorithm for predicting acute toxicity to the fathead minnow. SAR and QSAR in Environmental Research 21:5-6, pages 559-570.
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S. A. Kulkarni, D. Moir & J. Zhu. (2007) Influence of structural and functional modifications of selected genotoxic carcinogens on metabolism and mutagenicity – a review. SAR and QSAR in Environmental Research 18:5-6, pages 459-514.
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S. A. Kulkarni, J. Zhu & S. Blechinger. (2005) In silico techniques for the study and prediction of xenobiotic metabolism: A review. Xenobiotica 35:10-11, pages 955-973.
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Articles from other publishers (11)

Fuxing Li, Defang Fan, Hao Wang, Hongbin Yang, Weihua Li, Yun Tang & Guixia Liu. (2017) In silico prediction of pesticide aquatic toxicity with chemical category approaches. Toxicology Research 6:6, pages 831-842.
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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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Lu Sun, Chen Zhang, Yingjie Chen, Xiao Li, Shulin Zhuang, Weihua Li, Guixia Liu, Philip W. Lee & Yun Tang. (2015) In silico prediction of chemical aquatic toxicity with chemical category approaches and substructural alerts. Toxicology Research 4:2, pages 452-463.
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Pavel G. Polishchuk, Eugene N. Muratov, Anatoly G. Artemenko, Oleg G. Kolumbin, Nail N. Muratov & Victor E. Kuz’min. (2009) Application of Random Forest Approach to QSAR Prediction of Aquatic Toxicity. Journal of Chemical Information and Modeling 49:11, pages 2481-2488.
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Andrej Pažitný, Tomáš Solčán & Daniel Végh. (2009) Pentafluorobenzaldehyde and its utilizing in organic synthesis. Journal of Fluorine Chemistry 130:3, pages 267-294.
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A.P. Worth, T.I. Netzeva & G. Patlewicz. 2007. Risk Assessment of Chemicals. Risk Assessment of Chemicals 427 465 .
Daphne de Roode, Conny Hoekzema, Selinda de Vries-Buitenweg, Beppy van de Waart & Jan van der Hoeven. (2006) QSARs in ecotoxicological risk assessment. Regulatory Toxicology and Pharmacology 45:1, pages 24-35.
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Kunal Roy & Indrani Sanyal. (2006) QSTR with Extended Topochemical Atom Indices. 7. QSAR of Substituted Benzenes to Saccharomyces cerevisiae . QSAR & Combinatorial Science 25:4, pages 359-371.
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Tatiana I. NetzevaAndrew P. WorthTom AldenbergRomualdo BenigniMark T.D. CroninPaola GramaticaJoanna S. JaworskaScott KahnGilles KlopmanCarol A. MarchantGlenn MyattNina Nikolova-JeliazkovaGrace Y. PatlewiczRoger PerkinsDavid W. RobertsTerry W. SchultzDavid T. StantonJohannes J.M. van de SandtWeida TongGilman Veith & Chihae Yang. (2019) Current Status of Methods for Defining the Applicability Domain of (Quantitative) Structure-Activity Relationships. Alternatives to Laboratory Animals 33:2, pages 155-173.
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Kunal Roy & Gopinath Ghosh. (2004) QSTR with Extended Topochemical Atom Indices. 3. Toxicity of Nitrobenzenes to Tetrahymena pyriformis . QSAR & Combinatorial Science 23:2-3, pages 99-108.
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Kunal Roy & Gopinath Ghosh. (2004) QSTR with Extended Topochemical Atom Indices. 2. Fish Toxicity of Substituted Benzenes. Journal of Chemical Information and Computer Sciences 44:2, pages 559-567.
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