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Journal: Pharmaceutical Research
Article Title: Development of a Novel Quantitative Structure-Activity Relationship Model to Accurately Predict Pulmonary Absorption and Replace Routine Use of the Isolated Perfused Respiring Rat Lung Model
doi: 10.1007/s11095-016-1983-4
Figure Lengend Snippet: Information Around the in-House QSAR Models and Descriptors used to Build the Log%SDiP OPLS Model
Article Snippet: The contribution of each of the 20 descriptors and 6 ADME model outputs of the x variable block are shown in the regression coefficients plot in Fig. . Descriptors that positively correlate with Log%SDiP include: extent of absorption in the rat following oral administration (FA_rat_v1.logFA_score), permeability (perm_chrom_p.perm_score, MDCK2.Perm_pH74_nm_sec, MDCK2.Perm_pH64_nm_sec), substrates of the active efflux transporter Pgp (Pgp_v31.Pgp_Score),
Techniques: Permeability, Software, Binding Assay, Molecular Weight