ToxAlerts: a Web server of structural alerts for toxic chemicals and compounds with potential adverse reactions (Q34372798)

1 August 2017

title

ToxAlerts: a Web server of structural alerts for toxic chemicals and compounds with potential adverse reactions (English)

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1 August 2017

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3

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1 August 2017

5

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1 August 2017

Elena Salmina

2

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Iurii Sushko

series ordinal

1

object named as

Iurii Sushko

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1 August 2017

Gennadiy Poda

4

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1 August 2017

language of work or name

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10 August 2012

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Journal of Chemical Information and Modeling

1 August 2017

published in

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1 August 2017

volume

52

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1 August 2017

issue

8

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1 August 2017

page(s)

2310-2316

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The perspectives of computational chemistry modeling

1 August 2017

cites work

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640409

A review of the electrophilic reaction chemistry involved in covalent protein binding relevant to toxicity

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640409

Structural alert/reactive metabolite concept as applied in medicinal chemistry to mitigate the risk of idiosyncratic drug toxicity: a perspective based on the critical examination of trends in the top 200 drugs marketed in the United States

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640409

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640409

Measurement and estimation of electrophilic reactivity for predictive toxicology

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640409

MultiCASE Expert Systems and the REACH Initiative

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640409

Structure alerts for carcinogenicity, and the Salmonella assay system: a novel insight through the chemical relational databases technology.

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640409

Minimising the potential for metabolic activation in drug discovery

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640409

Can we estimate the accuracy of ADME-Tox predictions?

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640409

DrugBank: a comprehensive resource for in silico drug discovery and exploration

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640409

The use of structure-activity relationship analysis in the food contact notification program

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640409

Development and prevalidation of a list of structure-activity relationship rules to be used in expert systems for prediction of the skin-sensitising properties of chemicals.

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640409

Derivation and validation of toxicophores for mutagenicity prediction

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640409

Chemical structure, Salmonella mutagenicity and extent of carcinogenicity as indicators of genotoxic carcinogenesis among 222 chemicals tested in rodents by the U.S. NCI/NTP.

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640409

Electrophiles and acute toxicity to fish

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640409

Rules for distinguishing toxicants that cause type I and type II narcosis syndromes

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640409

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640409

An expert system rulebase for identifying contact allergens

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640409

Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach.

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640409

Structure-activity relationships for skin sensitization potential: development of structural alerts for use in knowledge-based toxicity prediction systems.

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640409

Toxicophores: investigations in drug safety

27 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22876798

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Computer Prediction of Possible Toxic Action from Chemical Structure; The DEREK System

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22876798

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/CI300245Q

1 reference

journals/jcisd/SushkoSPPT12

1 August 2017

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

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1 August 2017

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