(Q31165898)

29 June 2017

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title

In silico prediction of drug toxicity (English)

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29 June 2017

John C Dearden

1

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29 June 2017

1 February 2003

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Journal of Computer - Aided Molecular Design

29 June 2017

1 reference

29 June 2017

17

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29 June 2017

119-127

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29 June 2017

2-4

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Validation of a novel molecular orbital approach (COMPACT) for the prospective safety evaluation of chemicals, by comparison with rodent carcinogenicity and Salmonella mutagenicity data evaluated by the U.S. NCI/NTP.

29 June 2017

1 reference

12 December 2020

Knowledge-based expert systems for toxicity and metabolism prediction: DEREK, StAR and METEOR.

1 reference

12 December 2020

Chance correlations in structure-activity studies using multiple regression analysis

1 reference

12 December 2020

Predictive carcinogenicity: a model for aromatic compounds, with nitrogen-containing substituents, based on molecular descriptors using an artificial neural network.

1 reference

12 December 2020

Structure-activity correlations of anticancer agents: diaminopyrimidines, N-acyltriamines, bis-(1-aziridinyl)-phosphinyl carbamates, and aromatic nitrogen mustards

1 reference

12 December 2020

A new highly specific method for predicting the carcinogenic potential of pharmaceuticals in rodents using enhanced MCASE QSAR-ES software

1 reference

12 December 2020

A quantitative structure-toxicity relationships model for the dermal sensitization guinea pig maximization assay

1 reference

12 December 2020

Computer-assisted structure-activity studies of chemical carcinogens. A heterogeneous data set

1 reference

12 December 2020

Prediction of the rodent carcinogenicity of organic compounds from their chemical structures using the FALS method

1 reference

12 December 2020

Hydrophobicity and central nervous system agents: on the principle of minimal hydrophobicity in drug design.

1 reference

12 December 2020

Influence of Hydrophobic Character on the Relative Rate of Oxidation of Drugs by Rat Liver Microsomes

1 reference

12 December 2020

The structure-activity relationship of skin carcinogenicity of aromatic hydrocarbons and heterocycles

1 reference

12 December 2020

Synthesis, pharmacological characterization, and quantitative structure-activity relationship analyses of 3,7,9,9-tetraalkylbispidines: derivatives with specific bradycardic activity.

1 reference

12 December 2020

An improved and updated version of the compact procedure for the evaluation of P450-mediated chemical activation

1 reference

12 December 2020

Assessment of effect levels of chemicals from quantitative structure-activity relationship (QSAR) models. I. Chronic lowest-observed-adverse-effect level (LOAEL).

1 reference

12 December 2020

Development of an expert system rulebase for the prospective identification of photoallergens.

1 reference

12 December 2020

Quantitative structure--activity relationship (QSAR) studies of mutagens and carcinogens

1 reference

12 December 2020

Computational predictive programs (expert systems) in toxicology

1 reference

12 December 2020

A possible index of fatal drug toxicity in humans

1 reference

12 December 2020

Quantitative structure-activity relationships of mutagenic and carcinogenic aromatic amines.

1 reference

12 December 2020

Development of structure-activity relationship rules for predicting carcinogenic potential of chemicals

1 reference

12 December 2020

Human carcinogens: an evaluation study via the COMPACT and HazardExpert procedures

1 reference

12 December 2020

Development, characterization and application of predictive-toxicology models

1 reference

12 December 2020

Knowledge discovery and data mining in toxicology

1 reference

12 December 2020

Binary quantitative structure-activity relationship (QSAR) analysis of estrogen receptor ligands

1 reference

12 December 2020

Synthesis and structure-activity relationships of amides of amphotericin B

1 reference

12 December 2020

A structure-carcinogenicity study of 4-nitroquinoline 1-oxides using the SIMCA method of pattern recognition

1 reference

12 December 2020

AI and SAR approaches for predicting chemical carcinogenicity: survey and status report

1 reference

12 December 2020

Aminodiol HIV protease inhibitors. Synthesis and structure-activity relationships of P1/P1' compounds: correlation between lipophilicity and cytotoxicity

1 reference

12 December 2020

International Commission for Protection Against Environmental Mutagens and Carcinogens. Use of SAR in computer-assisted prediction of carcinogenicity and mutagenicity of chemicals by the TOPKAT program

1 reference

12 December 2020

Lipophilic Character and Biological Activity of Drugs II: The Parabolic Case

1 reference

12 December 2020

Salmonella mutagenicity and rodent carcinogenicity: quantitative structure-activity relationships.

1 reference

12 December 2020

A mechanism-mediated model for carcinogenicity: model content and prediction of the outcome of rodent carcinogenicity bioassays currently being conducted on 25 organic chemicals

1 reference

12 December 2020

Computer systems for the prediction of toxicity: an update

1 reference

12 December 2020

Structure-activity studies of chemical carcinogens: use of an electrophilic reactivity parameter in a new QSAR model.

1 reference

12 December 2020

The first US National Toxicology Program exercise on the prediction of rodent carcinogenicity: definitive results

1 reference

12 December 2020

Comparison of mutagenic and carcinogenic activities of aniline mustards

1 reference

12 December 2020

Identifiers

DOI

10.1023/A:1025361621494

1 reference

29 June 2017

journals/jcamd/Dearden03

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DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference

PubMed ID

13677480