Tox21-PPAR-gamma contains the following comma separated text files:

n: total number of nodes
m: total number of edges
N: number of graphs


*.node_labels (n lines)
	column vector of node labels,
	the value in the i-th line corresponds to the node with node_id i

*.link_labels (m lines)
	labels for the edges in *.edges

*.edges (m lines) 
	sparse (block diagonal) adjacency matrix for all graphs,
	each line corresponds to (row, col) resp. (node_id, node_id)

*.graph_labels (N lines)
	class labels for all graphs in the dataset,
	the value in the i-th line is the class label of the graph with graph_id i

*.graph_idx (n lines)
	column vector of graph identifiers for all nodes of all graphs,
	the value in the i-th line is the graph_id of the node with node_id i

--- Node Label Conversion --- 

Node labels were converted to integer values using this map:

Component 0:
	0	O
	1	C
	2	N
	3	F
	4	Cl
	5	S
	6	Br
	7	Si
	8	Na
	9	I
	10	Hg
	11	B
	12	K
	13	P
	14	Au
	15	Cr
	16	Sn
	17	Ca
	18	Cd
	19	Zn
	20	V
	21	As
	22	Li
	23	Cu
	24	Co
	25	Ag
	26	Se
	27	Pt
	28	Al
	29	Bi
	30	Sb
	31	Ba
	32	Fe
	33	Ti
	34	Tl
	35	Sr
	36	In
	37	Dy
	38	Ni
	39	Be
	40	Mg
	41	Nd
	42	Pd
	43	Mn
	44	Zr
	45	Pb
	46	Yb
	47	Mo
	48	Ge

Edge labels were converted to integer values using this map:

Component 0:
	0	single
	1	double
	2	aromatic
	3	triple




Please cite the following if you use the data:

@inproceedings{networkrepo,
    title = {The Network Data Repository with Interactive Graph Analytics and Visualization},
    author={Ryan A. Rossi and Nesreen K. Ahmed},
    booktitle = {AAAI},
    url={http://networkrepository.com},
    year={2015}
}

