Looking for buried treasures: The search for new drug leads in large chemical databases

Autor: T. R. Hagadone, A. B. Miller, Michael S. Lajiness, Mark A. Johnson, Gerald M. Maggiora
Rok vydání: 1988
Předmět:
Zdroj: Mathematical and Computer Modelling. 11:626-629
ISSN: 0895-7177
DOI: 10.1016/0895-7177(88)90568-7
Popis: Chemical databases are potential sources of structural and related information that may be of great value in the discovery and development of new medicinal agents. However, to utilize this information effectively requires sophisticated computer-based methods. An overview of methods appropriate to lead finding and optimization is presented, and a number of issues concerning their application are discussed.
Databáze: OpenAIRE