Molecular Chemometrics

I just found out that a review article that I wrote earlier this year got printed: Molecular Chemometrics (DOI: 10.1080/10408340600969601), with my personal view on the interplay between chemoinformatics and chemometrics. The review discusses interesting developments in the last five years, and was fun writing (reading too, I think :). It has four major topics:

• molecular representation (with 'molecular descriptors' and 'beyond the molecule')
• chemical space, similarity and diversity
• activity and property modeling (with 'dimension reduction' and 'model validation')
• library searching, which mostly focuses on semantic web developments

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Comments most welcome; just leave them below this blog item, or blog about the article yourself :)

Technorati tags: chemistry molecular chemoinformatics cheminformatics chemometrics representation descriptors chemical space similarity diversity dimension reduction model validation library searching semantic web databases