QSAR investigation of acute toxicity of organic compounds during oral administration to mice

Tinkov O.V., Grigorev V.Yu., Polishchuk P.G., Yarkov A.V., Raevsky O.A.

Year: 2019 Vol: 65 Issue: 2 Pages: 123-132

Supplementary materials:   RUEN
Compounds of work and test sets, also observed and predicted values of the toxicity calculated by the AMD, SPCI, OCHEM models. SMARTS patterns of all analyzed fragments. Contributions of all molecular fragments to acute toxicity calculated from SPCI model.PBMC-2019-65-2-123_supplement-rus.zip  PBMC-2019-65-2-123_supplement-eng.zip