Tuesday, December 12, 2006

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 :)

1 comment:

  1. Hi Egon,
    I cannot read your article, they want 28 bucks...

    Why not publish in OA (PLos One or BMC)?

    Can you publish a post-print here?
    If not, can you sen me a electronic reprint please? Thanks alot.

    I think Taylor and Francis is a yellow publisher.

    Publisher: Taylor & Francis
    Pre-print: tick author can archive pre-print (ie pre-refereeing)
    Post-print: tick subject to Restrictions below, author can archive post-print (ie final draft post-refereeing)

    * 12 month embargo for STM Journals
    * 18 month embargo for SSH journals


    * Some individual journals may have policies prohibiting pre-print archiving
    * Publisher's version/PDF cannot be used
    * On a non-profit server
    * Published source must be acknowledged
    * Must link to publisher version

    They state: "Thus the electronic version of any paper accepted by and published in the Journal is available in the public domain, as the definitive version."

    Confusion ?!?

    Sherpa Romeo
    Publisher copyright policies & self-archiving

    Copyright Resources for Authors
    Practical guidance when submitting journal articles
    Understanding your rights

    Directory of Open Access Journals.