Characterization of Marine Sediments Toxicity based on Structural Information
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CONTRIBUTORS:
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CONFERENCE NAME:
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CONF. LOCATION:
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Plovdiv, Bulgaria
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CONFERENCE YEAR:
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2007
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PUB TYPE:
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Conference Presentation
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SUBJECT(S):
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chemistry - biochemistry; chemistry - computational; chemistry - organic; engineering - agriculture; medicine - immunology; medicine - informatics
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DISCIPLINE:
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No discipline assigned
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HTTP:
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http://lori.academicdirect.org/works/?id=123
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LANGUAGE:
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None
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PUB ID:
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103-436-073
(Last edited on
2007/07/08 09:31:59 GMT-6)
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SPONSOR(S):
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ABSTRACT:
The marine sediment toxicity was previous studied for eight ordnance compounds: 2,4,6-trinitrotoluene (2,4,6-TNT), 2,4-dinitrotoluene (2,4-DNT), 2,6-dinitrotoluene (2,6-DNT), 1,3-dinitrobenzene (1,3-DNB), 1,3,5-trinitrobenzene (1,3,5-TNB), Royal Demolition Explosive (RDE), tetryl, and picric acid [1]. Based on the obtained experimental data, the lethal concentration to 50% of the test organisms (LC50) and the effective concentration to 50% of the test organisms (EC50) have been modeled by using the molecular descriptors family on structure activity relationships (MDF-SAR) approach [2].
For five organismn and nine endpoints, the MDF-SAR models with two variables were obtained.
The analysis of the obtained models with two descriptors revealed that the MDF-SAR approach is able to provide valid and reliable model for marine sediments toxicity characterization.
References
1. R. S. Carr, M. Nipper,Final Report [online]. Available at:http://stinet.dtic.mil/cgi-bin/GetTRDoc?AD=ADA383554&Location=U2&doc=GetTRDoc.pdf.
2. L. Jäntschi,LEJPT 6 (2005) 76.
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