4.4 Review

Considerations and recent advances in QSAR models for cytochrome P450-mediated drug metabolism prediction

Related references

Note: Only part of the references are listed.
Article Chemistry, Multidisciplinary

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)

Article Chemistry, Multidisciplinary

QSAR models for the prediction of binding affinities to human serum albumin using the heuristic method and a support vector machine

CX Xue et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2004)

Article Chemistry, Multidisciplinary

Support vector machines-based quantitative structure - Property relationship for the prediction of heat capacity

CX Xue et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2004)

Article Chemistry, Multidisciplinary

Prediction of P-glycoprotein substrates by a support vector machine approach

Y Xue et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2004)

Article Chemistry, Multidisciplinary

2D QSAR consensus prediction for high-throughput virtual screening. An application to COX-2 inhibition modeling and screening of the NCI database

N Baurin et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2004)

Article Chemistry, Multidisciplinary

Ensemble methods for classification in cheminformatics

C Merkwirth et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2004)

Article Chemistry, Multidisciplinary

Development of linear, ensemble, and nonlinear models for the prediction and interpretation of the biological activity of a set of PDGFR inhibitors

R Guha et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2004)

Article Chemistry, Multidisciplinary

Study of the quantitative structure-mobility relationship of carboxylic acids in capillary electrophoresis based on support vector machines

CX Xue et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2004)

Article Chemistry, Multidisciplinary

Feature selection for descriptor based classification models.: 2.: Human intestinal absorption (HIA)

JK Wegner et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2004)

Article Chemistry, Multidisciplinary

On the physical interpretation of QSAR models

DT Stanton

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2003)

Article Chemistry, Multidisciplinary

Modeling the toxicity of aromatic compounds to Tetrahymena pyriformis:: The response surface methodology with nonlinear methods

SJ Ren

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2003)

Article Chemistry, Multidisciplinary

Use of robust classification techniques for the prediction of human cytochrome P450 2D6 inhibition

RG Susnow et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2003)

Article Chemistry, Multidisciplinary

Random forest: A classification and regression tool for compound classification and QSAR modeling

V Svetnik et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2003)

Article Chemistry, Multidisciplinary

Comparative assessment of multiresponse regression methods for predicting the mechanisms of toxic action of phenols

SJ Ren et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2003)

Article Chemistry, Multidisciplinary

Development of quantitative structure-activity relationship and classification models for a set of carbonic anhydrase inhibitors

BE Mattioni et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2002)

Article Chemistry, Multidisciplinary

On combining recursive partitioning and simulated annealing to detect groups of biologically active compounds

P Blower et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2002)

Article Chemistry, Multidisciplinary

QSAR and k-nearest neighbor classification analysis of selective cyclooxygenase-2 inhibitors using topologically-based numerical descriptors

GW Kauffman et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2001)

Article Chemistry, Multidisciplinary

Toward an optimal procedure for variable selection and QSAR model building

A Yasri et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2001)

Review Biochemistry & Molecular Biology

Pharmacophore modeling and three-dimensional database searching for drug design using catalyst

Y Kurogi et al.

CURRENT MEDICINAL CHEMISTRY (2001)

Article Chemistry, Multidisciplinary

A novel method for building regression tree models for QSAR based on artificial ant colony systems

S Izrailev et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2001)

Article Chemistry, Multidisciplinary

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)