Chemical Space

Chemical Space

Mit Chemical Space (engl. wörtlich übersetzt „Chemischer Raum“, wobei die deutsche Übersetzung nicht gebraucht wird) ist die Gesamtheit aller Moleküle gemeint, die existieren oder hergestellt werden können. Der Chemical Space wird auf 10440 Moleküle geschätzt, die thermodynamisch stabil sind.[1] In der Arzneistoffforschung wird mit Chemical Space die Gesamtzahl an möglichen Molekülen, die als Arzneistoffe einsetzbar sind bezeichnet.[2] Man geht anhand einer maximalen Molekülmasse für Arzneistoffe von 600 g·mol−1 davon aus, dass die Gesamtzahl 1060 beträgt.[3] Der Chemical Space dient so zum Vergleich der Zahl der bisher synthetisierten Substanzen von etwa 35 Millionen[4] mit der maximal möglichen Zahl synthetisierbarer Substanzen.

Einzelnachweise

  1. ↑ Combinatorial Library Methods and ... - Google Buchsuche (englisch). books.google.de. Abgerufen am 29. April 2008.
  2. ↑ Nature Insight - Chemical space (englisch). www.nature.com. Abgerufen am 29. April 2008.
  3. ↑ A Pharmacology Primer: Theory ... - Google Buchsuche (englisch). books.google.de. Abgerufen am 29. April 2008.
  4. ↑ CAS Databases - CAS REGISTRY, Substance Information (englisch). www.cas.org. Abgerufen am 29. April 2008.

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