Enabling drug discovery project decisions with integrated computational chemistry and informatics.
| Autor: | Tsui V; Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, CA, 94080, USA., Ortwine DF; Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, CA, 94080, USA., Blaney JM; Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, CA, 94080, USA. blaney.jeff@gene.com. |
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| Jazyk: | angličtina |
| Zdroj: | Journal of computer-aided molecular design [J Comput Aided Mol Des] 2017 Mar; Vol. 31 (3), pp. 287-291. Date of Electronic Publication: 2016 Oct 31. |
| DOI: | 10.1007/s10822-016-9988-y |
| Abstrakt: | Computational chemistry/informatics scientists and software engineers in Genentech Small Molecule Drug Discovery collaborate with experimental scientists in a therapeutic project-centric environment. Our mission is to enable and improve pre-clinical drug discovery design and decisions. Our goal is to deliver timely data, analysis, and modeling to our therapeutic project teams using best-in-class software tools. We describe our strategy, the organization of our group, and our approaches to reach this goal. We conclude with a summary of the interdisciplinary skills required for computational scientists and recommendations for their training. |
| Databáze: | MEDLINE |
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