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Antiparasite Library

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Desirable size of the custom library selection:
  • Mg
  • uMol
ChemDiv’s Antiparasite Library contains 25,376 compounds.

The set consists of antibacterial, antifungal and insecticide chemicals.

The general strategy of compound selection includes:
Learning. Reference set: more than 10K compounds. Focus on novel chemistry: Antibacterial, antifungal and
insecticide compounds claimed since
Analysis. Clustering of reference chemical space; isosteric and bioisosteric morphing; singeltones assignment; 2D topological analysis of structures
CADD. 2D-Topological analogues; Similarity search 2D-Pharmacophore search; Expert opinion
Selection. Maximization of chemical diversity; Focus on novel chemistry; Focus on nature-like & sp3-rich chemistry
Screening. Antiparasite library of more than 25K highly diverse compounds.
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