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The MCASE program will accept the structure of a series of diverse compounds and their observed activity (quantitative or qualitative) in a biological test performed under a common protocol. The program will automatically evaluate the data set and try to identify the structural features responsible for activity (biophores). It then creates organized dictionaries of these biophores and develops ad hoc local QSAR correlations that can be used to predict the activity of unknown molecules.

Upon entering a new molecule, the MCASE program will evaluate it against the dictionary and the appropriate QSARs it has created and, based on the results, venture a prediction as to the projected activity of the molecule in the corresponding test. All conclusions can be documented and rationalized by querying the program. If the activity of the molecule is known, its observed value will also be displayed.

This program is particularly useful in drug design, when the user intends to analyze proprietary information and create its own dictionaries. It can also accept the databases offered in conjunction with the CASETOX program.

At the present moment we ship MC4PC version v 2.00 of the program:

bulletMC4PC v 2.00 -The program runs on Windows 2000/XP/Vista computers. 

This versions can be seamlessly interfaced with METAPC. Currently discontinued and replaced by CASE Ultra.


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Copyright 2013 Multicase Inc
Last modified: 02/13/13

MultiCASE MC4PC-based computational toxicology estimations are intended to be used as part of a weight of evidence approach for hazard and risk assessment that includes laboratory experimental data. Computational toxicology predictions are not intended as a substitute for appropriate animal or clinical studies. Results obtained with certain MC4PC software modules should be regarded as preliminary and subject to change.