3D structure for all insecticides(512 molecules)

insecticides_set.mol2

physicochemical properties of insecticides

insecticides_info.csv

3D structure for ChEMBL set used to build score function (1000 molecules)

ChEMBL_set.mol2

physicochemical properties of ChEMBL set

ChEMBL_info.csv

distribution of insecticides properties

Distribution.png

3D structure for all fungicides(377 molecules)

fungicides.mol2

physicochemical properties of fungicides

fungicides.csv

3D structure for ChEMBL set used to build score function (1000 molecules)

ChEMBL.mol2

physicochemical properties of ChEMBL set

ChEMBL.csv

distribution of fungicides properties

Distribution.png

3D structure for all herbicides(542 molecules)

herbicides_set.mol2

physicochemical properties of herbicides

herbicides_info.csv

3D structure for ChEMBL set used to build score function (1000 molecules)

ChEMBL_set.mol2

physicochemical properties of ChEMBL set

ChEMBL_info.csv

distribution of herbicides properties

Distribution.png