Naslov
Significance verification and simplification of some often used structure-property models in molecular biosciences

Autori
Batista, Jadranko ; Lučić, Bono

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Book of Abstracts, The 3rd Adriatic Meeting on Computational Solutions in Life Sciences / Babić, Darko ; Došlić, Nadja ; Smith, David ; Tomić, Sanja ; Vlahoviček, Kristian - Zagreb : Institute of Computational Life Sciences (ICLS), 2009

ISBN
978-953-6690-80-0

Skup
3rd Adriatic Meeting on Computational Solutions in the Life Sciences

Mjesto i datum
Primošten, Hrvatska, 01.09.2009. - 05.09.2009

Vrsta sudjelovanja
Poster

Vrsta recenzije
Nije recenziran

Ključne riječi
-.

Sažetak
In development of structure-property/activity models, very often, too many parameters have been introduced, i.e. more than it could be justified by performing significance testing. Such a practice could be initiated by an intention of authors to improve the model accuracy over the previously results, published either for similar, or for the same problem or data set, because it is desirable to have (numerically) better results than the best previous ones. We will illustrate how structure-property/activity models can be simplified and improved by performing significance testing of optimized parameters introduced in final models, on two examples (1) modeling based on connectivity indices, and (2) modeling folding/unfolding rates of proteins.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA