An Effective Solution for Drug Discovery Based on the Tangram Meta-Heuristic and Compound Filtering

Ligand-Based Virtual Screening accelerates and cheapens the design of new drugs. However, it needs efficient optimizers because of the size of compound databases. This work proposes a new method called Tangram CW. The proposal also encloses a knowledge-based filter of compounds. Tangram CW achieves...

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Veröffentlicht in:	Informatica (Vilnius, Lithuania) Lithuania), 2023-01, Vol.34 (4), p.743-769
Hauptverfasser:	Cruz, Nicolás C., Puertas-Martín, Savíns, Redondo, Juana L., Ortigosa, Pilar M.
Format:	Artikel
Sprache:	eng
Schlagworte:	Filtration Heuristic methods
Online-Zugang:	Volltext
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