Figure 5
From: Assessment and validation of the CAESAR predictive model for bioconcentration factor (BCF) in fish
Fragments related to large errors and corresponding SMARTS1. 1 SMARTS: SMiles ARbitrary Target Specification. 2A: using the [Cl] SMARTS all compounds with at least one chlorine atom are identified; to select only compounds with a minimum of six chlorine atoms the SMARTS recognizing program of the applet was used (it counts the number of fragments and then selects only the compounds with at least six). 3E: O[a] & [Cl,Br]a are two SMARTS to be used together to identify a fragment with an oxygen bound to an aromatic atom and at least three halogens (chlorine or bromine) bound to an aromatic (not necessary the same aromatic ring). 4J: for this SMARTS the explanation of the A point is valid.