… Building upon FutureTox I, II, and III, this conference focused on the latest science … vitro
profiling and in silico modeling as it relates to predictive developmental and reproductive toxicity (…

… in predictive toxicology as it has shifted from in vivo studies toward in silico studies. Currently…
Therefore, to supplement the results of the search criteria obtained in Tables 1 and 2, we …

… intend to focus on prediction of in vitro toxicity endpoints. In Phase 2, we will expand to in
vivo toxicity end points by incorporating ADME processes into prediction modeling (Fig. 6.1). In …

… Some in vivo and in silico methods have been developed for the … classification models for
the training set was listed in Table 2, and … The predictive accuracy of our model was superior to …

… profiling of chemical-bioactivity relationships, and in silico models can support efforts to …
are data gaps that could be addressed with in vitro data and in silico models. Machine-learning …

… 0.001, Table 2), demonstrating that our in vitro- and in silico-based … doses are for predicting
in vivo PODs and informing safety … system and reproductive toxicity were also included in this …

… feature–toxicity relationships to yield predictive models. In this … a model that would be
agnostic of in vitro characteristics, … time spanned 2 orders of magnitude, so we performed a log 2 …

… than the lowest toxicity concentration (in our study, the in vitro BMDL 5 ). This study used
human cell line HK-2 to eliminate extrapolation uncertainty between different species. The HK-…

… utility toward predictive toxicity in preclinical drug safety and toxicity … vitro HTS data to inform
in vivo mechanisms of toxicity. For example, 2-acetylaminofluorene was found to elicit in vitro …

… to integrate in vivo experimental data with nonclinical data, support … 2 further demonstrated
the goodness of our new AD method. … Predictive toxicology classification models are often …