| 摘要 |
A method for the prediction of adverse cross-reactions between lead candidat e biomolecules and potential reactant molecules, often biopolymers, is described. In a computational system, reactions are modeled within a suitabl e environment, in order to determine a reaction profile between a lead candida te molecule and a potential reactant molecule. A risk assessment is then generated for each lead based on a plurality of reaction profiles for the le ad with respect to a plurality of potential reactant molecules. The method includes provisions for redesign and optimization of the lead candidate, possibly iterative in nature, in order to avoid predicted adverse cross- reactions.
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