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The green chemistry design philosophy has proven useful in both academic and business settings,1,2  but some aspects have yet to be fully exploited during the earliest stages of chemical design. The fourth principle of green chemistry, which states that chemicals should be “benign by design”, is possibly the most difficult of them all, because it relies on the ability to predict the behavior of a given compound in a biological system, including the degree and rate at which a chemical substance enters the systemic circulation and/or is present at the site of physiological or biochemical activity. Voutchkova and colleagues3  have discussed the three fundamental requirements for chemical toxicity in a living system: (1) there must be exposure of the chemical to the living system; (2) the chemical substance must be bioavailable (the degree and rate at which a chemical substance enters the systemic circulation and/or is present at the site of physiological or biochemical activity) by the route of exposure; and (3) the chemical and/or metabolites must be capable of directly or indirectly causing an alteration (initiating event) which leads to an adverse outcome. The physicochemical properties of the compound(s) play a large role in these factors. As an example, reducing or blocking potential bioavailability through chemical design has been shown to be a successful process in green molecular design (GMD).3 

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