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Size-independent ligand efficiency

Size-independent ligand efficiency SILE pKi or p/(d or pICso HAC 23 to 3.0 (pICso based) [20]... [Pg.460]

Nissink JWM (2009) Simple size-independent measure of ligand efficiency. J Chem Inf Model 49 1617-1622... [Pg.109]

Although this measure of ligand efficiency is the most widely used, it has been proposed that the LE index could be replaced by size-independent indices like the fit quality score (FQ) [19] or the percentage LE [20], which allow the comparison of fragments irrespective of their molecular weight. Many other related indices (listed in Table 1) have also been proposed recently to take into account properties other than molecular weight in the fragment-to-lead optimization, such as polar surface area or lipophilicity [20]. [Pg.203]

Wostyn et al. [61] have reported the molecular nonlinear optical polarizability of lanthanate complexes containing stilbazolium ions. Their experimental results indicate that the hyperpolarizability is independent of the nature of the lanthanide, though the complex anion size is a function of the size of the ligand on the lanthanide cation. Andreu et al. [55] have synthesized a new chiral cyanine dye, 4 -[2-(methoxymethyl)pyrrolidinyl]-l-methylstilbazolium iodide (MPMS + I). They have reported that MPMS +1 exhibits phase-matched SHG with the efficiency of up to 80 times that of urea. [Pg.400]


See other pages where Size-independent ligand efficiency is mentioned: [Pg.51]    [Pg.51]    [Pg.625]    [Pg.93]    [Pg.625]    [Pg.321]    [Pg.135]    [Pg.20]    [Pg.393]    [Pg.15]    [Pg.346]    [Pg.281]    [Pg.135]    [Pg.567]    [Pg.23]    [Pg.645]    [Pg.78]    [Pg.227]   


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Ligand size

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