Using probabilistic neural networks to model the toxicity of chemicals to the fathead minnow (Pimephales promelas): a study based on 865 compounds.

Abstract:

:We investigate the use of probabilistic neural networks (PNN) to model the acute toxicity (96-hr LC50) to the fathead minnow (Pimephales promelas) based on a 865 chemicals data set. In contrast to most other toxicological models, the octanol/water partition coefficient is not used as input parameter. The information fed into the neural network is solely based on simple molecular descriptors as can be derived from the chemicals' structures and indicates the potential of this approach as general methodology for the estimation of toxicological effects of chemicals.

journal_name

Chemosphere

journal_title

Chemosphere

authors

Kaiser KL,Niculescu SP

doi

10.1016/s0045-6535(99)00553-6

subject

Has Abstract

pub_date

1999-06-01 00:00:00

pages

3237-45

issue

14

eissn

0045-6535

issn

1879-1298

pii

S0045653599005536

journal_volume

38

pub_type

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