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. 2019 Feb 12;24(3):645. doi: 10.3390/molecules24030645

Table 3.

AML: List of physio-chemical properties and predicted toxicology and ADME for top 20 ligands. Toxicology and ADME predictions are probabilities in the range [0, 1] *.

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* Listed are NSC-408383, NSC-676443, NSC-627757, NSC-749518, NSC-641596, NSC-116535, NSC-722325, NSC-666597, NSC-105132, NSC-673181, NSC-609964, NSC-168470, NSC-267461, NSC-743508, NSC-695267, NSC-707801, NSC-718154, NSC-59937, NSC-684700, and NSC-656591. Receptor binding energies, promiscuity, genotoxicity, skin sensitivity, and aquatic toxicity from SMARTS hits not listed.