Chemoinformatics: Past, present, and future.

Chemoinformatics: Past, present, and future. Chen, W. L. J Chem Inf Model, 46(6):2230–2255, 2006.
doi abstract bibtex

The history of chemoinformatics is reviewed in a decade-by-decade manner from the 1940s to the present. The focus is placed on four traditional research areas: chemical database systems, computer-assisted structure elucidation systems, computer-assisted synthesis design systems, and 3D structure builders. Considering the fact that computer technology has been one of the major driving forces of the development of chemoinformatics, each section will start from a brief description of the new advances in computer technology of each decade. The summary and future prospects are given in the last section.

@Article{chen06chemoinformatics,
  author    = {William Lingran Chen},
  title     = {Chemoinformatics: Past, present, and future.},
  journal   = {J Chem Inf Model},
  year      = {2006},
  volume    = {46},
  number    = {6},
  pages     = {2230--2255},
  abstract  = {The history of chemoinformatics is reviewed in a decade-by-decade manner from the 1940s to the present. The focus is placed on four traditional research areas: chemical database systems, computer-assisted structure elucidation systems, computer-assisted synthesis design systems, and 3D structure builders. Considering the fact that computer technology has been one of the major driving forces of the development of chemoinformatics, each section will start from a brief description of the new advances in computer technology of each decade. The summary and future prospects are given in the last section.},
  comment   = {chemoinformatics history review, including interpretation of metabolite/small molecule MS},
  doi       = {10.1021/ci060016u},
  keywords  = {chemoinformatics},
  owner     = {Sebastian},
  pmid      = {17125167},
  timestamp = {2011.01.08},
}

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