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ADME filter

Ro5 < 2, yet poor oral availability) and 4 are false negatives (Q2, Ro5 > 2, but medi-um/good oral availability). Thus, the combination of GPSVS and Ro5 has a 0.7% false negative rate, and a 5% false positive rate. We conclude that this combination provides a very effective tool for ADME filtering. [Pg.264]

T.I. Oprea, P. Benedetti, G. Berellini, M. Olah, K. Fejgin, S. Boyer, Rapid ADME filters for lead discovery, in Molecular Interaction Fields, (Ed. ... [Pg.784]

Metabolic stability is generally on all lists of ADME filters. The chemistry control is highly situational in the sense that in some chemical series control is excellent, i.e. the chemistry SAR is very tight. A specific example might be the blocking of hydroxylation by a fluorine atom-In other cases the control is poor, for example, the biology target SAR dictates the presence of a metabolically unstable... [Pg.346]

See other pages where ADME filter is mentioned: [Pg.366]    [Pg.180]    [Pg.38]    [Pg.98]    [Pg.249]    [Pg.250]    [Pg.250]    [Pg.250]    [Pg.250]    [Pg.252]    [Pg.254]    [Pg.256]    [Pg.258]    [Pg.260]    [Pg.261]    [Pg.261]    [Pg.263]    [Pg.263]    [Pg.264]    [Pg.264]    [Pg.265]    [Pg.266]    [Pg.266]    [Pg.267]    [Pg.268]    [Pg.268]    [Pg.269]    [Pg.270]    [Pg.272]    [Pg.321]    [Pg.488]    [Pg.488]    [Pg.175]    [Pg.40]   
See also in sourсe #XX -- [ Pg.249 , Pg.261 ]



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ADME

ADME Filters GPSVS vs. Ro

PENGUINS Ultrafast ADME Filter

Rapid ADME Filters for Lead Discovery

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