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2000
Volume 5, Issue 7
  • ISSN: 1389-5575
  • E-ISSN: 1875-5607

Abstract

From library shaping to ADME-Tox prediction via virtual screening, computational chemistry is an integral component of Lead Generation. It provides a series of tools that help focusing on compounds with a balanced pharmacodynamic and ADME-Tox profile together with a high potential to optimize potency and selectivity.

© Bentham Science Publishers
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/content/journals/mrmc/10.2174/1389557054368826
2005-07-01
2025-10-10

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  • Article Type:     Review Article
Keyword(s): adme; clustering; complexity; frequent hitters; lead generation; lead-likeness; library design; similarity; virtual screening

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