Artificial Neural Networks: a tool for science


                            Department of Chemistry, Masaryk University

                                      Ph.D. Seminars – XD 107


                                           Filippo Amato


 “Artificial Neural Networks” (ANNs) can be applied in different scientific fields (and in
particular to chemistry).

The seminar comprises a brief introduction to artificial neural networks, their structure, the
working principle and learning capabilities. Also, the advantages the use of Experimental Design in
conjunction with ANNs will be discussed. The capabilities of ANNs will be shown through
severalexamples (i) the use of ANNs as tools  for “soft” modelling  of the Nernst equation,
complex cases like (ii) multicomponent kinetic determination(iii) optimization of chemical
synthesis, (iv)synthesis of nano-materials (v) estimation of kinetic rate constants and (vi)
analysis of cytotoxic activity of mixtures of compounds, etc. M more emphasis will be given to
their practical use rather than to  theoretical aspects. General applicability of ANNs in science
will be stressed.



16 – February – 2012