In Silico Prediction of the Toxicity of Nitroaromatic Compounds: Application of Ensemble Learning QSAR Approach

Article

Abstract: In this work, a dataset of more than 200 nitroaromatic compounds is used to develop Quantitative Str

Palabras claves:

Accumulated Local Effect, ensemble model, Machine learning, nitroaromatic compounds, QSAR, QSTR, Support Vector Machine, Toxicity

Autores:

Daghighi A., Gerardo M. Casañola-Martin, Lučić B., Milenković D., Rasulev B., Timmerman T.

Fuentes:

scopus