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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

Pehar, Vesna ; Oršolić, Davor ; Jadrijević-Mladar Takač, Milena ; Stepanić, Višnja Application of machine learning approaches for design of more selective herbicides // Book of Abstracts, The 3rd COST-sponsored ARBRE- MOBIEU plenary meeting / Ivošević DeNardis, Nadica ; Campos-Olivas, Ramon ; Miele, Adriana E. et al. (ur.). Zagreb: Institut Ruđer Bošković ; Hrvatsko biofizičko društvo, 2019. str. 113-114

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

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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

Povezanost rada

Biotehnologija, Interdisciplinarne prirodne znanosti, Kemija