Welcome to the ChemBio Hub blog, a place for you to find out more about how we operate at a technical and collaborative level and how you can get involved. You can of course visit the ChemBio Hub website.

Introducing ChemiReg - The ChemBio Hub compound registration system

posted 10 Mar 2015 by Adam Hendry

The ChemBio Hub team is pleased to announce our new compound registration system – ChemiRegis now open for initial user testing. ChemiReg is the first step in our mission to capture all chemical biology data from around Oxford University. Following last December’s workshop (see previous blog post) we have developed the key functionality suggested by prospective users.

Current features of ChemiReg: - Flexible and easy to use - Compounds can be uploaded individually or by their thousands in minutes - Compound data is rigorously organised and easily searchable - Users can organise their data within their own project folders - Searching and exporting data is quick and simple - Secure login and IP protection

Upload of compound information is simple. You can draw your compound, copy and paste SMILES and InCHIs or upload whole files (we currently accept .xml, .sdf and .cdx formats). This flexibility is key to ensuring ChemiReg works for users from any background or discipline. We have developed functionality that is intuitive – to serve chemists and non-chemists alike.

The goal is not just to capture information, but to make it well defined and easily searchable. Organisation and presentation of data is therefore just as important as the quality of information itself, and ChemiReg meets these high data management standards. The project management system allows you to organise your data in project folders, and project security settings allow you to control who can see your sensitive information.

So why start with ChemiReg?

ChemiReg is our first step to capturing all of the University’s chemical biology data. Starting here means:

  1. Users will quickly gain benefit in managing their research data, without having to wait for other functionality to be available
  2. We can prove we have the right technology and approach – meaning what we provide next will be sustainable for the future
  3. Users of ChemiReg will be able to give their feedback on the sort of functionality we develop – and the community will shape the final set of tools available

We know from the positive response so far that we are on the right track. With more feedback and a larger community of users we will be able to deliver regular improvements to ChemiReg. We are also in good shape to face the challenge of developing assay capture functionality.

Back to the future

ChemBio Hub is developing quickly, and right now we need your help.

We are currently recruiting pilot users of ChemiReg.

We need researchers to use the ChemiReg utility to provide honest feedback on what they wish was (or wasn’t) there. If you would like trial access to ChemiReg, then please get in touch.

A number of users have already expressed their interest, a promising sign of things to come. Over the next few months we will continue to listen to your feedback and together shape ChemiReg into the perfect tool for organising and sharing your compound data.

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