prediction of metabolic breakdown of drugs



 I would like to say thank you to all who responded to my inquiry.
 "I would appreciate some help in finding references and/or
  computer programs that would help in the prediction of the
  metabolic breakdown of drugs and other pharmacological
  compounds."
 RESPONSES
 (1) Check  out METABOLITE by MDL.
 (2)Prof. Klopman's group at Case Western Reserve University has been developinga
 software called META to predict xenobiotics metabolism. You may check the
 following references:
 1. Klopman, G., M. Dimayuga, et al. (1994). "META. 1. A Program for the
 Evaluation of Metabolic Transformation of Chemicals." J.  Chem.  Inf.
 Comput.  Sci. 34: 1320-1325.
 2. Talafous, J., L. Sayre, et al. (1994). "META. 2. A Dictionary Model of
 Mammalian Xenobiotic Metabolism." J. Chem. Inf. Comput. Sci. 34: 1326-1333.
 3. Klopman, G., M. Tu, et al. (1997). "META 3.  A Genetic Algorithm for
 Metabolic Transform Priorities Optimization." J. Chem. Inf. Comput. Sci
 37(2): 329-334.
 Check his homepage for more information of this program at
 http://www.multicase.com.
 Meihua Tu
 Ph.D. In Computational Chemistry
 ROW Sciences, INC
 NCTR/FDA
 (3)Probably the best program available is META, from MultiCASE, Inc.
 (http://www.multicase.com).  The code is explained in a
 series of papers:
 Klopman, Dimayuga & Talafous, J. Chem. Inf. Comput. Sci. 34:1320-25 (1994)
 Talafous, Sayre, Mieyal & Klopman, J. Chem. Inf. Comput. Sci. 34:1326-1333
 (1994)
 Klopman, Tu and Talafous, J. Chem. Inf. Comput. Sci. 37:329-34 (1997)
 John Manchester
 Staff Scientist, Camitro Corp.
 t;877-CAMITRO; f:781-453-1988
 john.manchester # - at - # camitro.com