Related references
Note: Only part of the references are listed.A general structure-property relationship to predict the enthalpy of vaporisation at ambient temperatures
T. Oberg
SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2007)
A novel automated lazy learning QSAR (ALL-QSAR) approach: Method development, applications, and virtual screening of chemical databases using validated ALL-QSAR models
Shuxing Zhang et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2006)
Statistically validated QSARs, based on theoretical descriptors, for modeling aquatic toxicity of organic chemicals in Pimephales promelas (fathead minnow)
E Papa et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2005)
Assessing the reliability of a QSAR model's predictions
L He et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2005)
κ Nearest neighbors QSAR modeling as a variational problem:: Theory and applications
P Itskowitz et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2005)
Inductive QSAR descriptors. Distinguishing compounds with antibacterial activity by artificial neural networks
A Cherkasov
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2005)
An accurate QSPR study of O-H bond dissociation energy in substituted phenols based on support vector machines
CX Xue et al.
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2004)
Predicting the carcinogenic potential of pharmaceuticals in rodents using molecular structural similarity and E-state indices
JF Contrera et al.
REGULATORY TOXICOLOGY AND PHARMACOLOGY (2003)
Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs
L Eriksson et al.
ENVIRONMENTAL HEALTH PERSPECTIVES (2003)
Predicting the NO3 radical tropospheric degradability of organic pollutants by theoretical molecular descriptors
P Gramatica et al.
ATMOSPHERIC ENVIRONMENT (2003)
Prediction of bioconcentration factor using genetic algorithm and artificial neural network
MH Fatemi et al.
ANALYTICA CHIMICA ACTA (2003)
The Chemistry Development Kit (CDK): An open-source Java library for chemo- and bioinformatics
C Steinbeck et al.
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2003)
Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to Tetrahymena pyriformis
MTD Cronin et al.
CHEMOSPHERE (2002)
Prediction of the acute toxicity (96-h LC50) of organic compounds to the fathead minnow (Pimephales promelas) using a group contribution method
TM Martin et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2001)
Prediction of mutagenicity of aromatic and heteroaromatic amines from structure: A hierarchical QSAR approach
SC Basak et al.
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2001)
Prediction of the genotoxicity of aromatic and heteroaromatic amines using electrotopological state indices
GG Cash
MUTATION RESEARCH-GENETIC TOXICOLOGY AND ENVIRONMENTAL MUTAGENESIS (2001)
QSAR approach for the selection of congeneric compounds with a similar toxicological mode of action
P Gramatica et al.
CHEMOSPHERE (2001)
Novel variable selection quantitative structure-property relationship approach based on the k-nearest-neighbor principle
WF Zheng et al.
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2000)
Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors
P Gramatica et al.
CHEMOSPHERE (2000)
Share Paper
