EVAL — A New Tool to Evaluate Topological Pharmacophores
EVAL is a PC-based tool to aid the medicinal chemist to evaluate logical combinations of structural descriptors typical of a given biological activity (topological pharmacophores). The step-wise procedure is fully interactive and works along the lines of the intuitive thinking of the researcher. The results may be interpreted in terms of substructural entities at any time and can be used as a starting point for more sophisticated modelling.
KeywordsStructural Descriptor Feature Combination Logical Combination Inactive Compound Intuitive Reasoning
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