An introduction to recursive neural networks and kernel methods for cheminformatics.
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.
Micheli
Alessio
A
Dipartimento di Informatica, Università di Pisa, Largo B. Pontecorvo 3, Pisa, Italy. micheli@di.unipi.it
Sperduti
Alessandro
A
Starita
Antonina
A
D002626:Chemistry, Pharmaceutical / Q000379:methods*; D008433:Mathematics; D016571:Neural Networks, Computer; D009716:Numerical Analysis, Computer-Assisted; D021281:Quantitative Structure-Activity Relationship