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
Comments most welcome; just leave them below this blog item, or blog about the article yourself :)
Additional details
Description
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.
Identifiers
- GUID
- https://doi.org/10.59350/frmbe-grb50
- URL
- https://chem-bla-ics.linkedchemistry.info/2006/12/12/molecular-chemometrics.html
Dates
- Issued
-
2006-12-12T01:00:00
- Updated
-
2025-02-16T01:00:00