Predicting Toxicology — Deductive Estimation of Risk from Existing Knowledge DEREK for Windows

The workflow with DEREK starts with entering a molecnlar strnctnre via struc-tnre editor software or by importing files in one of the following formats MDL Molfile, SD file, MDL ISIS Sketch files (.skc). In the second step, the operator selects a species for which he wants to predict toxicological information. On processing 

This information allows evaluating redesign of compounds to reduce toxicology from a toxicophore standpoint. 

The software can either run as a stand-alone version or in a two-tier implementation where knowledge base and client software are installed separately, either on a single computer or by running the knowledge-base server on a separate machine in the network. The client software runs on Microsoft Windows NT, Windows 2000, or Windows XP operating systems with minimal memory requirements. 

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