Paper: Towards predictive resistance models for agrochemicals by combining chemical and protein similarity via proteochemometric modelling
There's an Open Access opinion paper out in J. Chem. Biol. on the potential application of chemo/bio joint QSAR techniques that have historically been developed and applied to primarily human pharmaceutical applications, to the agrochemical area.
Link to the paper is here.
Later in the summer of 2014, there is some very exciting news on agrochemical data for ChEMBL!
%0 Journal Article %D 2014 %@ 1864-6158 %J Journal of Chemical Biology %R 10.1007/s12154-014-0112-2 %T Towards predictive resistance models for agrochemicals by combining chemical and protein similarity via proteochemometric modelling %U http://dx.doi.org/10.1007/s12154-014-0112-2 %I Springer Berlin Heidelberg %8 2014-05-15 %K Polypharmacology %K Cheminformatics %K Machine learning %K Resistance %A Westen, Gerard J.P. %A Bender, Andreas %A Overington, John P. %P 1-5 %G English