Modeling Chemical Interaction Profiles: I. Spectral Data-Activity Relationship and Structure-Activity Relationship Models for Inhibitors and Non-inhibitors of Cytochrome P450 CYP3A4 and CYP2D6 Isozymes

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Richard D. Beger; Eugene Demchuk; Bruce A. Fowler; Dan A. Buzatu; Jon G. Wilkes; Weida Tong; James C. Fuscoe; Luis G. Valerio; Huixiao Hong; Weigong Ge; Laura K. Schnackenberg; Bruce A. Pearce; Yunfeng Tie; Brooks McPhail;

An interagency collaboration was established to model chemical interactions that may cause adverse health effects when an exposure to a mixture of chemicals occurs. Many of these chemicals—drugs, pesticides, and environmental pollutants—interact at the level of metaboli... View more
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