| Autor: |
Bakken GA; Pfizer Worldwide Research and Development, Groton, Connecticut, USA., Bell AS, Boehm M, Everett JR, Gonzales R, Hepworth D, Klug-McLeod JL, Lanfear J, Loesel J, Mathias J, Wood TP |
| Jazyk: |
angličtina |
| Zdroj: |
Journal of chemical information and modeling [J Chem Inf Model] 2012 Nov 26; Vol. 52 (11), pp. 2937-49. Date of Electronic Publication: 2012 Oct 31. |
| DOI: |
10.1021/ci300372a |
| Abstrakt: |
High Throughput Screening (HTS) is a successful strategy for finding hits and leads that have the opportunity to be converted into drugs. In this paper we highlight novel computational methods used to select compounds to build a new screening file at Pfizer and the analytical methods we used to assess their quality. We also introduce the novel concept of molecular redundancy to help decide on the density of compounds required in any region of chemical space in order to be confident of running successful HTS campaigns. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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