文件历史

jajupmochi 57cc316e51 Change names of datasets.		5 年前
..
1,1-bis(ethylthio)ethane.ct	Change names of datasets.	5 年前

1,1-bis(isopropylthio)ethane.ct	Change names of datasets.	5 年前

1,1-bis(methylthio)ethane.ct	Change names of datasets.	5 年前

1,1-diethoxyethane.ct	Change names of datasets.	5 年前

1,1-diethoxypentane.ct	Change names of datasets.	5 年前

1,1-diethoxypropane.ct	Change names of datasets.	5 年前

1,1-diisopropoxyethane.ct	Change names of datasets.	5 年前

1,1-diisopropoxypropane.ct	Change names of datasets.	5 年前

1,1-dimethoxy-2,2-dimethylpentane.ct	Change names of datasets.	5 年前

1,1-dimethoxy-2-methylpropane.ct	Change names of datasets.	5 年前

1,1-dimethoxybutane.ct	Change names of datasets.	5 年前

1,1-dimethoxyethane.ct	Change names of datasets.	5 年前

1,1-dimethoxyhexane.ct	Change names of datasets.	5 年前

1,1-dipropoxyethane.ct	Change names of datasets.	5 年前

1,1-dipropoxypropane.ct	Change names of datasets.	5 年前

1,2-bis(ethylthio)ethane.ct	Change names of datasets.	5 年前

1,2-bis(methylthio)ethane.ct	Change names of datasets.	5 年前

1,2-diethoxyethane.ct	Change names of datasets.	5 年前

1,2-dimethoxyethane.ct	Change names of datasets.	5 年前

1,2-dimethoxypropane.ct	Change names of datasets.	5 年前

1,2-dimethylpropyl_ethyl_ether.ct	Change names of datasets.	5 年前

1,2-dimethylpropyl_methyl_ether.ct	Change names of datasets.	5 年前

1,3-bis(ethylthio)propane.ct	Change names of datasets.	5 年前

1,3-diethoxypropane.ct	Change names of datasets.	5 年前

1,3-diisopropoxypropane.ct	Change names of datasets.	5 年前

1,3-dimethoxybutane.ct	Change names of datasets.	5 年前

1,3-dimethoxypentane.ct	Change names of datasets.	5 年前

1,3-dimethoxypropane.ct	Change names of datasets.	5 年前

1,3-dimethylpentyl_methyl_ether.ct	Change names of datasets.	5 年前

1,3-dipropoxypropane.ct	Change names of datasets.	5 年前

1,4-diethoxybutane.ct	Change names of datasets.	5 年前

1,4-dimethoxybutane.ct	Change names of datasets.	5 年前

1,4-dimethoxypentane.ct	Change names of datasets.	5 年前

1,5-dimethoxypentane.ct	Change names of datasets.	5 年前

1,5-dimethylhexyl_methyl_ether.ct	Change names of datasets.	5 年前

1-butyl-propane-2-ol.ct	Change names of datasets.	5 年前

1-ethoxy-1-propoxyethane.ct	Change names of datasets.	5 年前

1-ethoxy-2-methoxyethane.ct	Change names of datasets.	5 年前

1-ethoxy-4-methoxybutane.ct	Change names of datasets.	5 年前

1-ethyl-1,3-dimethylbutyl_methyl_ether.ct	Change names of datasets.	5 年前

1-ethylpropyl_methyl_sulfide.ct	Change names of datasets.	5 年前

1-ethylpropyl_propyl_ether.ct	Change names of datasets.	5 年前

1-methoxy-1-propoxyethane.ct	Change names of datasets.	5 年前

2,2-bis(propylthio)propane.ct	Change names of datasets.	5 年前

2,2-diethoxypropane.ct	Change names of datasets.	5 年前

2,2-dimethoxypropane.ct	Change names of datasets.	5 年前

2,2-dimethylpropyl_ethyl_ether.ct	Change names of datasets.	5 年前

2,4-dimethoxy-2-methylpentane.ct	Change names of datasets.	5 年前

2-ethoxy-2-methoxypropane.ct	Change names of datasets.	5 年前

2-ethylhexyl_methyl_ether.ct	Change names of datasets.	5 年前

3,5-dimethylhexyl_methyl_ether.ct	Change names of datasets.	5 年前

Acyclic.tar.gz	Change names of datasets.	5 年前

bis(1-ethylpropyl)_ether.ct	Change names of datasets.	5 年前

bis(1-methylbutyl)_ether.ct	Change names of datasets.	5 年前

bis(butylthio)methane.ct	Change names of datasets.	5 年前

bis(ethylthio)methane.ct	Change names of datasets.	5 年前

bis(methylthio)methane.ct	Change names of datasets.	5 年前

butyl_ethyl_sulfide.ct	Change names of datasets.	5 年前

butyl_isobutyl_ether.ct	Change names of datasets.	5 年前

butyl_isobutyl_sulfide.ct	Change names of datasets.	5 年前

butyl_isopentyl_ether.ct	Change names of datasets.	5 年前

butyl_isopropyl_ether.ct	Change names of datasets.	5 年前

butyl_isopropyl_sulfide.ct	Change names of datasets.	5 年前

butyl_methyl_ether.ct	Change names of datasets.	5 年前

butyl_methyl_sulfide.ct	Change names of datasets.	5 年前

butyl_pentyl_ether.ct	Change names of datasets.	5 年前

butyl_propyl_ether.ct	Change names of datasets.	5 年前

butyl_propyl_sulfide.ct	Change names of datasets.	5 年前

butyl_sec-butyl_ether.ct	Change names of datasets.	5 年前

butyl_sec-butyl_sulfide.ct	Change names of datasets.	5 年前

butyl_tert-butyl_ether.ct	Change names of datasets.	5 年前

ci00007a011.pdf	Change names of datasets.	5 年前

dataset_bps.ds	Change names of datasets.	5 年前

dataset_bps_old.ds	Change names of datasets.	5 年前

di-sec-butyl_sulfide.ct	Change names of datasets.	5 年前

di-tert-butyl_disulfide.ct	Change names of datasets.	5 年前

di-tert-butyl_ether.ct	Change names of datasets.	5 年前

di-tert-butyl_peroxide.ct	Change names of datasets.	5 年前

di-tert-butyl_sulfide.ct	Change names of datasets.	5 年前

di-tert-pentyl_sulfide.ct	Change names of datasets.	5 年前

dibutyl_disulfide.ct	Change names of datasets.	5 年前

dibutyl_ether.ct	Change names of datasets.	5 年前

dibutylsulfide.ct	Change names of datasets.	5 年前

diethoxymethane.ct	Change names of datasets.	5 年前

diethyl_disulfide.ct	Change names of datasets.	5 年前

diethyl_ether.ct	Change names of datasets.	5 年前

diethyl_peroxide.ct	Change names of datasets.	5 年前

diethyl_sulfide.ct	Change names of datasets.	5 年前

diisobutyl_disulfide.ct	Change names of datasets.	5 年前

diisobutyl_ether.ct	Change names of datasets.	5 年前

diisobutyl_sulfide.ct	Change names of datasets.	5 年前

diisopentyl_ether.ct	Change names of datasets.	5 年前

diisopentyl_sulfide.ct	Change names of datasets.	5 年前

diisopropyl_disulfide.ct	Change names of datasets.	5 年前

diisopropyl_ether.ct	Change names of datasets.	5 年前

diisopropyl_sulfide.ct	Change names of datasets.	5 年前

dimethoxymethane.ct	Change names of datasets.	5 年前

dimethyl_disulfide.ct	Change names of datasets.	5 年前

dimethyl_ether.ct	Change names of datasets.	5 年前

dimethyl_peroxide.ct	Change names of datasets.	5 年前

dimethyl_sulfide.ct	Change names of datasets.	5 年前

dipentyl_ether.ct	Change names of datasets.	5 年前

dipentyl_sulfide.ct	Change names of datasets.	5 年前

dipropoxymethane.ct	Change names of datasets.	5 年前

dipropyl_disulfide.ct	Change names of datasets.	5 年前

dipropyl_ether.ct	Change names of datasets.	5 年前

dipropyl_sulfide.ct	Change names of datasets.	5 年前

ethoxymethoxyethane.ct	Change names of datasets.	5 年前

ethyl_1,1,3,3-tetramethylbutyl_ether.ct	Change names of datasets.	5 年前

ethyl_1,1,3-trimethylbutyl_ether.ct	Change names of datasets.	5 年前

ethyl_1-ethylpropyl_ether.ct	Change names of datasets.	5 年前

ethyl_1-methylbutyl_ether.ct	Change names of datasets.	5 年前

ethyl_2-methylbutyl_sulfide.ct	Change names of datasets.	5 年前

ethyl_butyl_ether.ct	Change names of datasets.	5 年前

ethyl_heptyl_ether.ct	Change names of datasets.	5 年前

ethyl_heptyl_sulfide.ct	Change names of datasets.	5 年前

ethyl_isobutyl_ether.ct	Change names of datasets.	5 年前

ethyl_isobutyl_sulfide.ct	Change names of datasets.	5 年前

ethyl_isopentyl_ether.ct	Change names of datasets.	5 年前

ethyl_isopentyl_sulfide.ct	Change names of datasets.	5 年前

ethyl_isopropyl_disulfide.ct	Change names of datasets.	5 年前

ethyl_isopropyl_ether.ct	Change names of datasets.	5 年前

ethyl_isopropyl_sulfide.ct	Change names of datasets.	5 年前

ethyl_methyl_disulfide.ct	Change names of datasets.	5 年前

ethyl_methyl_ether.ct	Change names of datasets.	5 年前

ethyl_methyl_peroxide.ct	Change names of datasets.	5 年前

ethyl_methyl_sulfide.ct	Change names of datasets.	5 年前

ethyl_octyl_ether.ct	Change names of datasets.	5 年前

ethyl_pentyl_ether.ct	Change names of datasets.	5 年前

ethyl_propyl_disulfide.ct	Change names of datasets.	5 年前

ethyl_propyl_ether.ct	Change names of datasets.	5 年前

ethyl_propyl_sulfide.ct	Change names of datasets.	5 年前

ethyl_sec-butyl_ether.ct	Change names of datasets.	5 年前

ethyl_tert-pentyl_ether.ct	Change names of datasets.	5 年前

ethylthiomethylthiomethane.ct	Change names of datasets.	5 年前

ft9949002015.pdf	Change names of datasets.	5 年前

heptyl_methyl_ether.ct	Change names of datasets.	5 年前

heptyl_methyl_sulfide.ct	Change names of datasets.	5 年前

heptyl_propyl_ether.ct	Change names of datasets.	5 年前

hexyl_methyl_ether.ct	Change names of datasets.	5 年前

hexyl_methyl_sulfide.ct	Change names of datasets.	5 年前

isobutyl_4-methylpentyl_sulfide.ct	Change names of datasets.	5 年前

isobutyl_isopentyl_ether.ct	Change names of datasets.	5 年前

isobutyl_isopropyl_sulfide.ct	Change names of datasets.	5 年前

isobutyl_methyl_ether.ct	Change names of datasets.	5 年前

isobutyl_methyl_sulfide.ct	Change names of datasets.	5 年前

isobutyl_propyl_ether.ct	Change names of datasets.	5 年前

isobutyl_propyl_sulfide.ct	Change names of datasets.	5 年前

isobutyl_tert-butyl_ether.ct	Change names of datasets.	5 年前

isopentyl_methyl_ether.ct	Change names of datasets.	5 年前

isopentyl_methyl_sulfide.ct	Change names of datasets.	5 年前

isopentyl_pentyl_ether.ct	Change names of datasets.	5 年前

isopentyl_propyl_ether.ct	Change names of datasets.	5 年前

isopropyl_heptyl_ether.ct	Change names of datasets.	5 年前

isopropyl_methyl_ether.ct	Change names of datasets.	5 年前

isopropyl_methyl_peroxide.ct	Change names of datasets.	5 年前

isopropyl_methyl_sulfide.ct	Change names of datasets.	5 年前

isopropyl_propyl_disulfide.ct	Change names of datasets.	5 年前

isopropyl_propyl_ether.ct	Change names of datasets.	5 年前

isopropyl_propyl_sulfide.ct	Change names of datasets.	5 年前

isopropyl_tert-pentyl_ether.ct	Change names of datasets.	5 年前

methyl_1,1,4-trimethylpentyl_ether.ct	Change names of datasets.	5 年前

methyl_1-methylbutyl_ether.ct	Change names of datasets.	5 年前

methyl_1-methylheptyl_ether.ct	Change names of datasets.	5 年前

methyl_1-methyloctyl_ether.ct	Change names of datasets.	5 年前

methyl_2-methylbutyl_ether.ct	Change names of datasets.	5 年前

methyl_2-methylbutyl_sulfide.ct	Change names of datasets.	5 年前

methyl_nonyl_sulfide.ct	Change names of datasets.	5 年前

methyl_octyl_ether.ct	Change names of datasets.	5 年前

methyl_octyl_sulfide.ct	Change names of datasets.	5 年前

methyl_pentyl_ether.ct	Change names of datasets.	5 年前

methyl_pentyl_sulfide.ct	Change names of datasets.	5 年前

methyl_propyl_ether.ct	Change names of datasets.	5 年前

methyl_propyl_sulfide.ct	Change names of datasets.	5 年前

methyl_tert-pentyl_ether.ct	Change names of datasets.	5 年前

readme.md	Change names of datasets.	5 年前

sec-butyl_ethyl_disulfide.ct	Change names of datasets.	5 年前

sec-butyl_ethyl_sulfide.ct	Change names of datasets.	5 年前

sec-butyl_isobutyl_ether.ct	Change names of datasets.	5 年前

sec-butyl_isobutyl_sulfide.ct	Change names of datasets.	5 年前

sec-butyl_isopropyl_sulfide.ct	Change names of datasets.	5 年前

sec-butyl_methyl_ether.ct	Change names of datasets.	5 年前

tert-butyl_ethyl_disulfide.ct	Change names of datasets.	5 年前

tert-butyl_ethyl_sulfide.ct	Change names of datasets.	5 年前

tert-butyl_isopentyl_ether.ct	Change names of datasets.	5 年前

tert-butyl_isopropyl_ether.ct	Change names of datasets.	5 年前

tert-butyl_methyl_ether.ct	Change names of datasets.	5 年前

tert-butyl_methyl_sulfide.ct	Change names of datasets.	5 年前

tert-butyl_propyl_ether.ct	Change names of datasets.	5 年前

tert-butyl_propyl_sulfide.ct	Change names of datasets.	5 年前

tert-butyl_tert-pentyl_peroxide.ct	Change names of datasets.	5 年前

testset_0.ds	Change names of datasets.	5 年前

testset_1.ds	Change names of datasets.	5 年前

testset_2.ds	Change names of datasets.	5 年前

testset_3.ds	Change names of datasets.	5 年前

testset_4.ds	Change names of datasets.	5 年前

testset_5.ds	Change names of datasets.	5 年前

testset_6.ds	Change names of datasets.	5 年前

testset_7.ds	Change names of datasets.	5 年前

testset_8.ds	Change names of datasets.	5 年前

testset_9.ds	Change names of datasets.	5 年前

trainset_0.ds	Change names of datasets.	5 年前

trainset_1.ds	Change names of datasets.	5 年前

trainset_2.ds	Change names of datasets.	5 年前

trainset_3.ds	Change names of datasets.	5 年前

trainset_4.ds	Change names of datasets.	5 年前

trainset_5.ds	Change names of datasets.	5 年前

trainset_6.ds	Change names of datasets.	5 年前

trainset_7.ds	Change names of datasets.	5 年前

trainset_8.ds	Change names of datasets.	5 年前

trainset_9.ds	Change names of datasets.	5 年前

readme.md

references

A database of acyclic molecules with hetero atoms (acyclic ethers, peroxides, acetals and their sulfur analogues). The dataset is concerned with the determination of the boiling point using regression (see dataset.ds) In both results presented bellow GLK stands for graph Laplacian kernel.

references

[1] https://brunl01.users.greyc.fr/CHEMISTRY/index.html#Acyclic

Attention the file dataset_bps.ds is sent to me by Benoit. The original one has some problems and now is renamed dataset_bps_old.ds.

A Python package for graph kernels, graph edit distances and graph pre-image problem.

机器学习图像处理物体识别图形处理

Text Jupyter Notebook Python C++ other

jajupmochi@gmail.com benoit.gauzere@insa-rouen.fr

readme.md

references

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