Predicting toxicity using computed molecular topologies: The example of triorganotin compounds |
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| Authors: | Roy B. Laughlin Willie French Rolf B. Johannesen H.E. Guard F.E. Brinckman |
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| Affiliation: | 1. University of California, Naval Biosciences Laboratory, Naval Supply Center, Oakland, California 94625 U.S.A.;2. Chemical and Biodegradation Processes Group, National Bureau of Standards, Washington, D.C. 20234 U.S.A. |
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| Abstract: | The LC50 values of eight triorganotin compounds for crab zoeae, correlate with substituent constants reflecting partitioning effects. Computed molar surface areas predict toxicity as well as any parameter used suggesting that partitioning into lipids controls the toxicity. |
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