Predicting Molecules—More Realism, Please! 论文

2008Angewandte Chemie International Edition引用 337
Computational Drug Discovery MethodsVarious Chemistry Research TopicsHistory and advancements in chemistry

摘要

To be or not to be: The terms “viable” and “fleeting,” rather than the imprecise term “stable,” are proposed to describe hypothetical molecules whose existence has been predicted by computational studies. A number of criteria that a molecule described as viable should fulfill are discussed.