Binary classification of chalcone derivatives with LDA or KNN based on their antileishmanial activity and molecular descriptors selected using the Successive Projections Algorithm feature-selection technique

摘要

Chalcones are naturally occurring compounds, which are considered as precursors for the flavonoid synthesis in several plant species. Chemically, chalcones are aromatic ketones consisting of an a-, p-unsaturated carbonyl system joining two aryl rings (Cianci et al., 2008). These compounds are reported to exhibit several pharmacological activities, including antiparasitic (Nielsen et al., 1998; Li et al., 1995), antibacterial (Lin et al., 2002), antifungal (Lopez et al., 2001), anticancer (Pouget et al., 2001; Ducki et al., 2005,1998), immunomodulatory (Barford et al., 2002), nitric oxide inhibition (Rojas et al., 2002) and anti-inflammatory (Ballesteros et al., 1995; Hsieh et al., 1998) properties. A number of studies has been particularly concerned with antileishmanial activity (Kayser and Kiderlen, 2001; Zhai et al., 1999; Chen et al., 2001).