How to perform PCR principal component Regression and PLS partial least squares Regression in Maple?

I have list say like this

[(0, 1), (1, 2), (1, 10), (2, 3), (3, 4), (4, 5), (4, 9), (5, 6), (6, 7), (7, 8), (8, 9), (10, 11), (11, 12), (11, 16), (12, 13), (13, 14), (14, 15), (15, 16)]

I want to convert it to

{{0,1},{1,2},{1,10},{2,3},.........}

And print the ouput to a file 

This I want the output as 

Graph({{0,1},{1,2},{1,10},{2,3},.........})

So that i can save the graph

like that all the order pairs in the above list 

I have given one list above here 

But if I have a list of lists like this below

[[(0, 1), (1, 2), (1, 10), (2, 3), (3, 4), (4, 5), (4, 9), (5, 6), (6, 7), (7, 8), (8, 9), (10, 11), (11, 12), (11, 16), (12, 13), (13, 14), (14, 15), (15, 16)], [(0, 10), (1, 2), (1, 9), (2, 3), (3, 4), (4, 5), (4, 9), (5, 6), (6, 7), (7, 8), (8, 9), (10, 11), (11, 12), (11, 16), (12, 13), (13, 14), (14, 15), (15, 16)],.......]

Like this their will be many say n element then I need to a list as 

[{{0,1},{1,2},{1,10},......}, {{0,10},......}, ....]

I ask for a list of graphs as I want the first graph in the first place only , second in the second place only.

Kind help

How to read the topological structure of chemical from a SMILES file in Maple 

As I want only the physical structure of the molecule

Like in molecular data it gives the bonds of topology {1,2} like the structure it gives

As SMILES can give 2D structure to me 

Kind help how to do 

If I draw a new molecule in chemdraw and save can we input it in someway and get the 3D coordinates , 2D , and many other details which we can get from the structure.

As I am new and I am planning to buy this toolbox please kind help

Give a Data for regression in excel sheet with many independent variables as much as 50 and one dependent variable. where first row is dependent variable say

Is their anyway in maplesoft to split into Train and test set 

Then it choose only best set of independent variables to model the dependent variable Y Linear regression

Is their any Toolbox or anyway we can do it

Can anyone help to write a code for this in Maple

Kind help.

Please help with a sample example program Kind help