Extending the Generalised Read-Across approach (GenRA): A systematic analysis of the impact of physicochemical property information on read-across performance.

ABSTRACT: Read-across is a useful data gap filling technique used within category and analogue approaches in regulatory hazard and risk assessment. Recently we developed an algorithmic, approach called Generalised Read-Across (GenRA) (Shah et al., 2016) which makes read-across predictions of toxicity effects using a similarity weighted average of source analogues characterised by their chemical and/or bioactivity descriptors. A default GenRA approach (termed baseline GenRA) relies on identifying 10 source analogues relative to a target substance that are structurally similar based on Morgan chemical fingerprints and computing an activity score to estimate presence or absence of in vivo toxicity. This current study investigated the impact that similarity in bioavailability plays in altering th

SUBMITTER: Helman G 

PROVIDER: S-EPMC6820193 | biostudies-literature | 2018

REPOSITORIES: biostudies-literature