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- W1984927327 abstract "Abstract Multivariate data analysis (MVDA) was applied on a set of 160 indole‐based PPAR‐γ agonists for modeling receptor binding (p K i) and gene transactivation (p E C 50 ) data. A pool of descriptors based on easily interpretable physicochemical, molecular and constitutional properties, including drug‐like characteristics was used. A PLS model with satisfactory and robust statistics was produced for p K i data, while the inferior quality of p EC 50 model reflected the higher complexity associated with transactivation process. In both PLS models, lipophilicity, molecular weight and the number of halogens exerted a significant positive effect in activity, while molecules should preferably be compact and less flexible. An activity‐activity model was further established using multiple regression analysis, which improved the interrelationship between p EC 50 and p K i." @default.
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- W1984927327 date "2009-08-01" @default.
- W1984927327 modified "2023-09-23" @default.
- W1984927327 title "A QSAR Study on Indole-Based PPAR-γ Agonists in Respect to Receptor Binding and Gene Transactivation Data" @default.
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- W1984927327 doi "https://doi.org/10.1002/qsar.200860185" @default.
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