Merge branch 'master' of https://github.com/CarolineCollins/Assignment-2-MSB1015

Author: CarolineCollins

AUTHORS.md

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+The project has one author, me! Caroline Collins.
+I am a Master's student doing Scientific Programming on the Master's Systems Biology at Maastricht University.
+( https://www.maastrichtuniversity.nl/education/master/master-systems-biology )
+Some details of the code were provided by the Course Supervisor Egon Willighagen.
+His github ID is egonw.

COLLABORATE.md

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+Welcome to my repository.
+This is an exercise in reuseability (US spelling is apparently reusability, but I can't help that)
+If you want to contribute, or suggest improvements to my feeble beginner's code,
+please feel free.
+I love constructive feedback!
+(can you imagine my joy on learning about `backticks`?)

README.md

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-Welcome to the repository of Assignment 2, where I have employed Github pages, Rmarkdown, SPARQL queries, the WikiData and CDK databases and multivariate statistics (PLS) to do some Computational chemistry. Visit the report page at 
+### This Project
+Welcome to the repository of Assignment 2, where I have employed Github pages, Rmarkdown, 
+SPARQL queries, the WikiData and CDK databases and multivariate statistics (PLS) to do some Computational chemistry. 
+Visit the report page at 
 
-https://carolinecollins.github.io/Assignment-2-MSB1015/Reuseable-Wiener.html
+[Reuseable Wiener](https://carolinecollins.github.io/Assignment-2-MSB1015/Reuseable-Wiener.html)
 
-to see how I built two models, one knowledge- and one data-driven, to predict the boiling points of alkanes from descriptors of their structural chemistry.
+to see how I built two models, one knowledge- and one data-driven, to predict the boiling points of 
+alkanes from descriptors of their structural chemistry.
 
-As a prerequisite, this notebook needs a certain Wikidata query R package which you can find here:
-https://github.com/bearloga/WikidataQueryServiceR
+As a prerequisite, this notebook needs a certain [Wikidata query R package which you can find here.](https://github.com/bearloga/WikidataQueryServiceR)
 
-This assignment was part of weeks 4 and 5 of Scientific Programming on the Master's Systems Biology at Maastricht University.
-( https://www.maastrichtuniversity.nl/education/master/master-systems-biology )
+### Input - Output
+A SPARQL query gets SMILEs molecule strings which are then evaluated in CDK, obtaining numeric descriptors
+which are then used as input to a model which predicts the molecules' boiling points.
 
-You are welcome to reuse my code, reuseability was, after all the main focus of this assignment. 
+### Reuseable
+By altering the SPARQL query you can reuse this code `Reuseable Wiener.Rmd` to predict different properties of different molecules.
+
+### Scientific Programming
+This assignment was part of weeks 4 and 5 of Scientific Programming 
+on the [Master's Systems Biology at Maastricht University.](https://www.maastrichtuniversity.nl/education/master/master-systems-biology)
+The Course Coordinator is Egon Willighagen. Some of the templates employed come from his github at egonw.
+
+You are welcome to reuse my code, reuseability was, after all, the main focus of this assignment. 
 If you have any comments I'd be happy to hear them, just get in touch.