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Citation: Qiao Xue-Bin, Hou Ting-Jun, Zhang Wei, Xu Xiao-Jie. Predication of Brain-blood Partitioning Using Back Propagation Network[J]. Acta Physico-Chimica Sinica, ;2002, 18(05): 385-388. doi: 10.3866/PKU.WHXB20020501 shu

Predication of Brain-blood Partitioning Using Back Propagation Network

1.
College of Chemistry and Molecular Engineering, Peking University, Beijing　100871

Received Date: 26 December 2001
Available Online: 15 May 2002

The back-propagation network based predication of brain-blood concentration ratio (BB) using 27 structurally derived descriptors was investigated. A typical biased two-layer network,including a sigmoid layer and a linear output layer, suited for arbitrary function approximation was chosen for the predication. The results show that fine-tuned back-propagation network models are very efficient for predication use.
- Brainblood barrier;QSPR (Quantitative Structure Property Analysis); Partition coefficients;Backpropagation;Neural Network
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