Toward big data in QSAR/QSPR
暂无分享,去创建一个
[1] Gérard Dreyfus,et al. From Hopfield nets to recursive networks to graph machines: Numerical machine learning for structured data , 2005, Theor. Comput. Sci..
[2] Bruce MacLennan,et al. Unconventional Computation , 2009, Lecture Notes in Computer Science.
[3] Gérard Dreyfus,et al. Local Overfitting Control via Leverages , 2002, Neural Computation.
[4] Peter Hogg,et al. Magnetic resonance imaging contrast agents: Overview and perspectives , 2007 .
[5] Alessio Micheli,et al. A preliminary experimental comparison of recursive neural networks and a tree kernel method for QSAR/QSPR regression tasks , 2004, ESANN.
[6] Jouko Yliruusi,et al. Prediction of physicochemical properties based on neural network modelling. , 2003, Advanced drug delivery reviews.
[7] Pierre Baldi,et al. The Principled Design of Large-Scale Recursive Neural Network Architectures--DAG-RNNs and the Protein Structure Prediction Problem , 2003, J. Mach. Learn. Res..
[8] Gérard Dreyfus,et al. QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging , 2014, J. Chem. Inf. Model..
[9] A Goulon,et al. Predicting activities without computing descriptors: graph machines for QSAR , 2007, SAR and QSAR in environmental research.
[10] Johann Gasteiger,et al. Canonical Numbering and Constitutional Symmetry , 1977, J. Chem. Inf. Comput. Sci..