Docking-based classification models for exploratory toxicology studies on high-quality estrogenic experimental data (Q31001950)

28 June 2017

Docking-based classification models for exploratory toxicology studies on high-quality estrogenic experimental data (English)

1 reference

28 June 2017

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Kamel Mansouri

3

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Domenico Alberga

Domenico Alberga

2

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Marco Catto

Marco Catto

6

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Saverio Cellamare

Saverio Cellamare

5

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Ettore Novellino

Ettore Novellino

Giuseppe Felice Mangiatordi

9

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Giuseppe Felice Mangiatordi

10

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Emilio Benfenati

8

Emilio Benfenati

1 reference

ORCID Public Data File 2021

28 June 2017

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Richard S. Judson

4

Richard Judson

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28 June 2017

1

Daniela Trisciuzzi

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28 June 2017

11

Orazio Nicolotti

1 reference

28 June 2017

7

Angelo Carotti

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28 June 2017

6 October 2015

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Future Medicinal Chemistry

28 June 2017

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28 June 2017

7

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28 June 2017

14

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28 June 2017

1921-1936

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Computational toxicology--a tool for early safety evaluation

28 June 2017

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Computational toxicology as implemented by the U.S. EPA: providing high throughput decision support tools for screening and assessing chemical exposure, hazard and risk.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

REACH and in silico methods: an attractive opportunity for medicinal chemists

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

The toxicity data landscape for environmental chemicals

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.15.103

Endocrine-disrupting chemicals: an Endocrine Society scientific statement

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

QSAR models using a large diverse set of estrogens

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

SAR and QSAR modeling of endocrine disruptors

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

In silico tools to aid risk assessment of endocrine disrupting chemicals

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Improving quantitative structure-activity relationships through multiobjective optimization

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

An integrated approach to ligand- and structure-based drug design: development and application to a series of serine protease inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Docking and scoring in virtual screening for drug discovery: methods and applications

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Virtual screening of chemical libraries

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Endocrine disruptome--an open source prediction tool for assessing endocrine disruption potential through nuclear receptor binding.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Estrogen receptors and endocrine diseases: lessons from estrogen receptor knockout mice.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Endocrine disrupting chemicals targeting estrogen receptor signaling: identification and mechanisms of action

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Environmental estrogens: health implications for humans and wildlife

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Advances in virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Virtual screening methods as tools for drug lead discovery from large chemical libraries

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

An alternative QSAR-based approach for predicting the bioconcentration factor for regulatory purposes.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Development and validation of a genetic algorithm for flexible docking

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Exploratory toxicology as an integrated part of drug discovery. Part I: Why and how.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Identification of putative estrogen receptor-mediated endocrine disrupting chemicals using QSAR- and structure-based virtual screening approaches

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Estrogen receptors: how do they signal and what are their targets

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Crystallographic comparison of the estrogen and progesterone receptor's ligand binding domains

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Synthesis of 3-alkyl naphthalenes as novel estrogen receptor ligands

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Estrogen receptor ligands. II. Discovery of benzoxathiins as potent, selective estrogen receptor alpha modulators

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Synthesis and crystal structure of a phosphorylated estrogen receptor ligand binding domain

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

ERbeta ligands. Part 5: synthesis and structure-activity relationships of a series of 4'-hydroxyphenyl-aryl-carbaldehyde oxime derivatives

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Structure of the ligand-binding domain of oestrogen receptor beta in the presence of a partial agonist and a full antagonist

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Integrated Modeling Program, Applied Chemical Theory (IMPACT)

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Nuclear hormone receptor targeted virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Virtual ligand screening: strategies, perspectives and limitations

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Benchmarking sets for molecular docking

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Simulation of the different biological activities of diethylstilbestrol (DES) on estrogen receptor alpha and estrogen-related receptor gamma

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Estrogen receptor-α mediates diethylstilbestrol-induced feminization of the seminal vesicle in male mice

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Effects of two novel selective estrogen receptor modulators, raloxifene, tamoxifen, and ethinyl estradiol on the uterus, vagina and breast in ovariectomized cynomolgus monkeys (Macaca fascicularis).

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

The structural basis of estrogen receptor/coactivator recognition and the antagonism of this interaction by tamoxifen

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Drug discovery for breast cancer and co-instantaneous cardiovascular disease: what is the future?

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Recent evidence regarding triclosan and cancer risk

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

A review of dietary and non-dietary exposure to bisphenol-A.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

Naturally occurring plant polyphenols as potential therapies for inherited neuromuscular diseases.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

The in vitro estrogenic activities of triclosan and triclocarban

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

ER-dependent estrogenic activity of parabens assessed by proliferation of human breast cancer MCF-7 cells and expression of ERalpha and PR.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

ACToR — Aggregated Computational Toxicology Resource

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.15.103

21 January 2018

Identifiers

DOI

10.4155/FMC.15.103

1 reference

28 June 2017

1 reference

PubMed ID

26440057