Collaborations in cheminformatics for green chemistry

Late last year I became aware of green chemistry and how some of the computational models and techniques that I have used in the past are relevant to this subject through an excellent review by Dr. Adelina Voutchkova and colleagues. For me this was an awakening of sorts because after being focussed primarily on using computational models for pharmaceutical related applications for so long, there were other uses for them with potentially wider implications.

I was invited to the Center for Green Chemistry and Green Engineering at Yale recently and gave a talk yesterday on some of the toxicology related models developed through collaborations. It will be interesting to see how this and other groups develop the computational models that will be needed to help impact the 12 principles of green chemistry. I will hope to learn more at an upcoming green chemistry conference. For me this field is ripe to utilize collaborations to obtain the data needed and share the resultant models for broader utilization and acceptance.

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  1. Jean-Claude Bradley says:

    Sean – you might be interested in the green solvent metric we use for solvent selection: http://usefulchem.blogspot.com/2010/08/green-solvent-metric-on-solvent.html

  1. Green Chemistry – Solvent selection guide » Collaborative Chemistry says:

    […] today in Washington DC, courtesy of the Center for Green Chemistry & Engineering at Yale. Now I am totally new to this green chemistry idea but I picked the “greener pharmaceutical processes and products session II” in the hope […]

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