Application of machine learning approaches for design of more selective herbicides (CROSBI ID 674067)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | međunarodna recenzija
Podaci o odgovornosti
Pehar, Vesna ; Oršolić, Davor ; Jadrijević-Mladar Takač, Milena ; Stepanić, Višnja
engleski
Application of machine learning approaches for design of more selective herbicides
Herbicides are chemical molecules used for destruction of weeds. Massive usage of herbicides has resulted in two global problems: increase in herbicide resistance and harmful impact of human health [1, 2]. In order to facilitate development of novel, more specific herbicides and development of strategies for impeding the weed resistance development, we have carried out extensive in silico analysis of the set of herbicides. Herein, we present results revealing links between structural, physicochemical, ADME (Absorption, Distribution, Metabolism, Excretion) and toxic features for herbicides. The analysis has been done by using proper machine learning approaches. References [1] Forouzesh A, Zand E, Soufizadeh S, Foroushani SS. W Classification of herbicides according to chemical family for weed resistance management strategies–an update, Weed Res, 2015 ; 55: 334-358. doi: 10.1111/wre.12153. [2] Lushchak VI, Matviishyn TM, Husak VV, Storey JM, Storey KB. Pesticide toxicity: a mechanistic approach. EXCLI J. 2018 ; 17:1101-1136. doi: 10.17179/excli2018-1710.
herbicides ; machine learning methods ; models ; QSAR
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano
Podaci o prilogu
113-114.
2019.
objavljeno
Podaci o matičnoj publikaciji
Book of Abstracts, The 3rd COST-sponsored ARBRE- MOBIEU plenary meeting
Ivošević DeNardis, Nadica ; Campos-Olivas, Ramon ; Miele, Adriana E. ; England, Patrick ; Vuletić, Tomislav
Zagreb: Institut Ruđer Bošković ; Hrvatsko biofizičko društvo
978-953-7941-28-4
Podaci o skupu
3rd COST-sponsored ARBRE-MOBIEU plenary meeting Molecular Biophysics - ABC of the puzzle of Life
poster
18.03.2019-20.03.2019
Zagreb, Hrvatska