10967/198 - QDB Compounds

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Toropov, A. A.; Benfenati, E. QSAR models of quail dietary toxicity based on the graph of atomic orbitals. Bioorg. Med. Chem. Lett. 2006, 16, 1941–1943.

Compound

ID:Va_4
Name:Dicrotophos
Description:
Labels:
CAS:141-66-2
InChi Code:InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+

Properties

pLC50: Quail dietary toxicity as log(1/LC50) [-log(mmol/L)]

ValueSource or prediction
1.301

experimental value

0.41247

Eq.3: Model for pesticides (Validation set)

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