An Introduction to Recursive Neural Networks and Kernel Methods for Cheminformatics
Alessio Micheli, Alessandro Sperduti, Antonina Starita · Current Pharmaceutical Design · 2007
The aim of this paper is to introduce the reader to new developments in Neural Networks and Kernel Machines concerning the treatment of structured domains. Specifically, we discuss the research on these relatively new models to introduce a novel and more general approach to QSPR/QSAR analysis. The focus is on the computational side and not on the experimental one. Keywords: qsar/qspr, recursive neural networks, kernel for structures, kernel methods, learning in structured domains, machine learning