IAA-NCEA/EPA-0001; “Chemoinformatics of EPA’s EDSP Universe of Chemicals”

Sciome, Llc, Research Triangle Park NC

Investigators

Abstract

Chemoinformatic support for HTS data studies include, an update of Tox21 QSAR models using chemical descriptors. A collection of chemical features (Saagar) are being develoed for a list of transparent, diverse and easily updatable structural descriptors that can be used for many different NTP projects that involve QSAR modeling projects and read-across analysis.