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The META program uses provided dictionaries to create metabolic paths of
molecules submitted to it. All rules have been determined based on reliable
literature sources. Each product is tested in silico for carcinogenicity.
A tree of products can be saved and analyzed. Currently, it can be combined with
one of the following dictionaries:
META can work as a stand alone module or can be interfaced with MULTICASE. At
the present moment we ship METAPC version v 1.3 of the program:
 | METAPC v 1.8.1 -The program runs on Windows NT/2000/XP computers.
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Please contact us for prices.
References
Metabolism
- Klopman, G., Dimayuga, M., and Talafous, J. (1994). META I. A Program for
the Evaluation of Metabolic Transformation of Chemicals. J. Chem. Inf. Comput.
Sci., 34, 1320-1325.
- Talafous, J., Sayre, L. M., Mieyal, J. J., and Klopman, G. (1994). META 2.
A Dictionary Model of Mammalian Xenobiotic Metabolism. J. Chem. Inf. Comput.
Sci., 34, 1326-1333.
- Klopman, G., Tu, M., Talafous, J. (1997) Meta3. A Genetic Algorithm for
Metabolic Transform Priorities Optimization. J. Chem. Inf. Comput. Sci., 37,
329-334
Biodegradation
- Klopman, G., Wang, S., and Balthasar, D. M. (1992). Estimation of queous
Solubility of Organic Molecules by the Group Contribution Approach.
Application to the Study of Biodegradation. J. Comp. Chem., 32, 474-482.
- Pangrekar, J., Klopman, G., and Rosenkranz, H. S. (1994). Expert-System
Comparison of Structural Determinants of Chemical Toxicity to Environmental
Bacteria. Environmental Toxicology and Chemistry, 13(6), 979-1001.
- Klopman, G., Zhang, Z., Balthasar, D. M., and Rosenkranz, H. S. (1995).
Computer Automated Predictions of Aerobic Biodegradation Transforms in the
Environment. Environ. Toxicol. and Chem., 14, 395-403.
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