Interpreting Computational Neural Network Quantitative Structure−Activity Relationship Models: A Detailed Interpretation of the Weights and Biases

Journal of Chemical Information and Modeling - Tập 45 Số 4 - Trang 1109-1121 - 2005
Rajarshi Guha1, David T. Stanton1, Peter C. Jurs1
1Chemistry Department, Penn State University, University Park, Pennsylvania 16802, and Procter & Gamble, Miami Valley Laboratories, Cincinnati, Ohio 45252

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