VirtualToxLab - in silico prediction of the toxic potential of drugs and environmental chemicals: evaluation status and internet access protocol. (Q46984966)

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scientific article published in January 2007

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English	VirtualToxLab - in silico prediction of the toxic potential of drugs and environmental chemicals: evaluation status and internet access protocol.	scientific article published in January 2007

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scholarly article

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Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17891320%20AND%20SRC:MED&resulttype=core&format=json

8 January 2020

VirtualToxLab - in silico prediction of the toxic potential of drugs and environmental chemicals: evaluation status and internet access protocol (English)

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17891320%20AND%20SRC:MED&resulttype=core&format=json

8 January 2020

internet access

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based on heuristic

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based on heuristic

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author name string

Angelo Vedani

1

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17891320%20AND%20SRC:MED&resulttype=core&format=json

8 January 2020

Max Dobler

2

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17891320%20AND%20SRC:MED&resulttype=core&format=json

8 January 2020

Morena Spreafico

3

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17891320%20AND%20SRC:MED&resulttype=core&format=json

8 January 2020

Ourania Peristera

4

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17891320%20AND%20SRC:MED&resulttype=core&format=json

8 January 2020

Martin Smiesko

5

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Europe PubMed Central

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8 January 2020

publication date

1 January 2007

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17891320%20AND%20SRC:MED&resulttype=core&format=json

8 January 2020

ALTEX: Alternatives to Animal Experimentation

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Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17891320%20AND%20SRC:MED&resulttype=core&format=json

8 January 2020

24

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8 January 2020

3

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8 January 2020

153-161

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8 January 2020

Relative Contributions of Affinity and Intrinsic Efficacy to Aryl Hydrocarbon Receptor Ligand Potency

1 reference

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Combining protein modeling and 6D-QSAR. Simulating the binding of structurally diverse ligands to the estrogen receptor.

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Comparative molecular field analysis (CoMFA) model using a large diverse set of natural, synthetic and environmental chemicals for binding to the androgen receptor

1 reference

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Receptor-mediated effects of chlorinated hydrocarbons

1 reference

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Predicting the toxic potential of drugs and chemicals in silico: a model for the peroxisome proliferator-activated receptor gamma (PPAR gamma).

1 reference

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Long-term exposure of European flounder (Platichthys flesus) to the flame-retardants tetrabromobisphenol A (TBBPA) and hexabromocyclododecane (HBCD)

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Binding affinity prediction of novel estrogen receptor ligands using receptor-based 3-D QSAR methods

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GABA(A)-mediated toxicity of hippocampal neurons in vitro

1 reference

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Consensus kNN QSAR: a versatile method for predicting the estrogenic activity of organic compounds in silico. A comparative study with five estrogen receptors and a large, diverse set of ligands.

1 reference

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Use of artificial intelligence in structure—affinity correlations of 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) receptor ligands

1 reference

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The role of G protein activation in the toxicity of amyloidogenic Abeta-(1-40), Abeta-(25-35), and bovine calcitonin

1 reference

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An integrated "4-phase" approach for setting endocrine disruption screening priorities--phase I and II predictions of estrogen receptor binding affinity

1 reference

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Raptor: combining dual-shell representation, induced-fit simulation, and hydrophobicity scoring in receptor modeling: application toward the simulation of structurally diverse ligand sets

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Cytochrome p450 in silico: an integrative modeling approach.

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Two-step models to predict binding affinity of chemicals to the human estrogen receptor alpha by three-dimensional quantitative structure-activity relationships (3D-QSARs) using receptor-ligand docking simulation

1 reference

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Simulating alpha/beta selectivity at the human thyroid hormone receptor: consensus scoring using multidimensional QSAR

1 reference

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Quantification of active principles and pigments in leaf extracts of Isatis tinctoria by HPLC/UV/MS

1 reference

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MTD-PLS: a PLS variant of the minimal topologic difference method. III. Mapping interactions between estradiol derivatives and the alpha estrogenic receptor.

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5D-QSAR: the key for simulating induced fit?

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The challenge of predicting drug toxicity in silico

1 reference

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Prediction of small-molecule binding to cytochrome P450 3A4: flexible docking combined with multidimensional QSAR

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Receptor-mediated hepatocarcinogenesis: role of hepatocyte proliferation and apoptosis

1 reference

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LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters

1 reference

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Prediction of ligand binding affinity and orientation of xenoestrogens to the estrogen receptor by molecular dynamics simulations and the linear interaction energy method.

1 reference

15 October 2024

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Identifiers

10.14573/ALTEX.2007.3.153

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17891320%20AND%20SRC:MED&resulttype=core&format=json

8 January 2020

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17891320%20AND%20SRC:MED&resulttype=core&format=json

8 January 2020

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