ABSTRACT
However, during the process of implementing approaches for compound selection and applying them routinely, it became obvious that additional decision criteria are needed which are quite different from mere diversity. It is obvious, that "druglikeness" is related to biological, chemical, and physical properties like activity, reactivity, synthesizability, bioavailability, and toxicity. Lipinski in a recent study (4) demonstrated the importance of solubility and showed approaches for assessing this problem by computational filters. Ghose et al. (5) investigated the ranges of certain properties that discriminate between drugs and nondrugs, such as log P, molar refractivity, molecular weight, and the occurrence of certain substructures.
