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Toxicological hazards, molecular design

In a second design stage, the chemical library was evaluated with in silico health hazard estimation methods developed by lUCT and state of the art eco-tox expert systems. Prediction of the health hazard and eco-toxicological profiles and physico-chemical properties with a sufficient degree of confidence allowed selection of those molecular structures exhibiting lower levels of intrinsic hazard. Figure 10.4 shows the calculated health hazard distribution of the SOLVSAFE dataset. [Pg.413]

See other pages where Toxicological hazards, molecular design is mentioned: [Pg.30]    [Pg.31]    [Pg.327]    [Pg.120]    [Pg.135]    [Pg.138]    [Pg.141]    [Pg.155]    [Pg.9]    [Pg.154]    [Pg.157]    [Pg.171]    [Pg.422]    [Pg.563]    [Pg.122]    [Pg.122]    [Pg.408]    [Pg.389]    [Pg.604]   
See also in sourсe #XX -- [ Pg.120 , Pg.121 ]



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