A decision support system which analyses the topological properties of molecular fragments to predict carcinogenic activity of organic chemical compounds is described in this work. Such a system, given a set of organic compound of known carcinogenic activity, detects the submolecular structures that could interact with biological sites involved in the biological process analyzed. These fragments are then used to predict the activity of compounds of unknown biological behavior
A decision support system for the prediction of carcinogenic activity of organic chemical compounds
PAOLUCCI, MASSIMO;PARODI, SILVIO
1994-01-01
Abstract
A decision support system which analyses the topological properties of molecular fragments to predict carcinogenic activity of organic chemical compounds is described in this work. Such a system, given a set of organic compound of known carcinogenic activity, detects the submolecular structures that could interact with biological sites involved in the biological process analyzed. These fragments are then used to predict the activity of compounds of unknown biological behavior
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