Molecular Design

Controlling the behavior of compounds and materials by manipulation of molecular properties.

Sunday, 25 January 2015

Molecular complexity in KL (Jan 2014)

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I was in Kuala Lumpur about this time last year and visited International Medical University where I delivered a harangue .  It was a very...
Wednesday, 21 January 2015

It's a rhodanine... fetch the ducking stool

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| next >> So I promised do a blog post on rhodanines .  This isn’t really a post on rhodanines or even PAINS .  It’s act...
8 comments:
Sunday, 11 January 2015

New year, new blog name...

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A new year and a new title for the blog which will now just be ‘Molecular Design’.  I have a number of reasons for dropping fragment-based...
2 comments:
Saturday, 13 September 2014

Saving Ligand Efficiency?

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<< Previous | I’ll be concluding the series of posts on ligand efficiency metrics (LEMs) here so it’s a good point at which to rem...
3 comments:
Thursday, 4 September 2014

Efficiency can also be lipophilic

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<< Previous || Next >> In the previous post , I questioned the validity of scaled ligand efficiency metrics (LEMs) such as L...
Saturday, 30 August 2014

Ligand efficiency metrics considered harmful

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Next >> It has been a while since I did a proper blog post. Some of you may have encountered a Perspective article entitled, ‘Ligan...
2 comments:
Wednesday, 4 June 2014

Ligand efficiency metric teaser

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Here's a bit of fun. See how these parallel lines transform when you divide Y by X (this is how you calculate ligand efficiency). ...
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