Methods 18 molecular structures parameters among 79 carbapenems were calculated QSAR model were established by neural network.A series of carbapenems were designed.

• 方法计算79种碳青霉烯类化合物的18个结构参数,利用神经网络方法建立碳青霉烯类化合物的QSAR模型,根据药物分子设计理论,设计了一系列碳青霉烯类化合物。