Acta Phys. -Chim. Sin. ›› 2002, Vol. 18 ›› Issue (05): 385-388.doi: 10.3866/PKU.WHXB20020501
• Communication •
Qiao Xue-Bin;Hou Ting-Jun;Zhang Wei;Xu Xiao-Jie
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.
QSPR (Quantitative Structure Property Analysis)
Qiao Xue-Bin;Hou Ting-Jun;Zhang Wei;Xu Xiao-Jie. Predication of Brain-blood Partitioning Using Back Propagation Network[J].Acta Phys. -Chim. Sin., 2002, 18(05): 385-388.
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