(Q27902325)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26949417%20AND%20SRC:MED&resulttype=core&format=json

10 March 2020

title

Bioalerts: a python library for the derivation of structural alerts from bioactivity and toxicity data sets (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26949417%20AND%20SRC:MED&resulttype=core&format=json

10 March 2020

1 reference

1 reference

Isidro Cortés-Ciriano

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26949417%20AND%20SRC:MED&resulttype=core&format=json

10 March 2020

author name string

Isidro Cortes-Ciriano

series ordinal

1

0 references

publication date

4 March 2016

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26949417%20AND%20SRC:MED&resulttype=core&format=json

Journal of Cheminformatics

10 March 2020

published in

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26949417%20AND%20SRC:MED&resulttype=core&format=json

10 March 2020

volume

8

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26949417%20AND%20SRC:MED&resulttype=core&format=json

10 March 2020

issue

1

0 references

page(s)

13

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26949417%20AND%20SRC:MED&resulttype=core&format=json

Creative Commons Attribution 4.0 International

10 March 2020

copyright license

start time

4 March 2016

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

describes a project that uses

Jupyter notebook file

1 reference

1 reference

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4779235/

Python

1 reference

based on heuristic

inferred from title

maintained by WikiProject

WikiProject Software

0 references

cites work

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1 reference

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Extended-connectivity fingerprints

20 March 2017

1 reference

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Discovering structural alerts for mutagenicity using stable emerging molecular patterns

7 April 2017

1 reference

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Computational derivation of structural alerts from large toxicology data sets

29 September 2017

1 reference

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How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4779235

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

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4779235

Mechanisms of chemical carcinogenicity and mutagenicity: a review with implications for predictive toxicology

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4779235

Chemical substructures that enrich for biological activity

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4779235

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

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4779235

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

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4779235

Analysis of large screening data sets via adaptively grown phylogenetic-like trees.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4779235

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.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4779235

The structural basis of the mutagenicity of chemicals in Salmonella typhimurium: the Gene-Tox data base

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4779235

QSAR modeling of the blood-brain barrier permeability for diverse organic compounds

29 September 2017

1 reference

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

2 June 2018

1 reference

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Computer prediction of possible toxic action from chemical structure: an update on the DEREK system.

21 January 2018

1 reference

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Emerging chemical patterns: a new methodology for molecular classification and compound selection.

21 January 2018

1 reference

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The signature molecular descriptor. 1. Using extended valence sequences in QSAR and QSPR studies

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0125-7

The signature molecular descriptor. 2. Enumerating molecules from their extended valence sequences.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0125-7

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0125-7

Bringing the MMFF force field to the RDKit: implementation and validation

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0125-7

Modelling ligand selectivity of serine proteases using integrative proteochemometric approaches improves model performance and allows the multi-target dependent interpretation of features

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0125-7

Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0125-7

The NumPy Array: A Structure for Efficient Numerical Computation

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0125-7

Matched molecular pair analysis: significance and the impact of experimental uncertainty

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26949417

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Data Structures for Statistical Computing in Python

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-016-0125-7

10.1186/S13321-016-0125-7

3 January 2022

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26949417%20AND%20SRC:MED&resulttype=core&format=json

journals/jcheminf/Cortes-Ciriano16

10 March 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1 reference

9 September 2019

https://scigraph.springernature.com/pub.10.1186/s13321-016-0125-7

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26949417%20AND%20SRC:MED&resulttype=core&format=json

10 March 2020

PubMed publication ID

26949417

1 reference