Assessing the reliability of a QSAR model's predictions
- 17 May 2005
- journal article
- research article
- Published by Elsevier in Journal of Molecular Graphics and Modelling
- Vol. 23 (6) , 503-523
- https://doi.org/10.1016/j.jmgm.2005.03.003
Abstract
No abstract availableKeywords
This publication has 29 references indexed in Scilit:
- Using probabilistic neural networks to model the toxicity of chemicals to the fathead minnow (Pimephales promelas): A study based on 865 compoundsChemosphere, 1999
- Prediction of Fathead Minnow Acute Toxicity of Organic Compounds from Molecular StructureChemical Research in Toxicology, 1999
- PREDICTING MODES OF TOXIC ACTION FROM CHEMICAL STRUCTURE: ACUTE TOXICITY IN THE FATHEAD MINNOW (PIMEPHALES PROMELAS)Environmental Toxicology and Chemistry, 1997
- A QSAR study of the toxicity of amines to the fathead minnowScience of The Total Environment, 1991
- QSAR modelling of the ERL-D fathead minnow acute toxicity databaseXenobiotica, 1991
- Consortium forms to use "fastest" supercomputerChemical & Engineering News, 1990
- MOPAC: A semiempirical molecular orbital programJournal of Computer-Aided Molecular Design, 1990
- Structure—activity relationship studies on the toxicity of benzene derivatives: III. Predictions and extension to new substituentsEnvironmental Toxicology and Chemistry, 1989
- Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular modelJournal of the American Chemical Society, 1985
- Highly discriminating distance-based topological indexChemical Physics Letters, 1982