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/vufind/Search/Results?lookfor=%22Benfenati%2C+Emilio%22&type=Person&filter%5B%5D=topic_facet%3A%22QSAR%22
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PubPharm (114)
1
Does the accounting of the local symmetry fragments in quasi-SMILES improve the predictive potential of the QSAR models of toxicity toward tadpoles?
enthalten in:
Toxicology mechanisms and methods
| 2024
von
Toropova, A.
|
Toropov, A.
|
Roncaglioni, A.
| +1
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2
In silico prediction of the mutagenicity of nitroaromatic compounds using correlation weights of fragments of local symmetry
enthalten in:
Mutation research. Genetic toxicology and environmental mutagenesis
| 2023
von
Toropov, A.
|
Toropova, A.
|
Roncaglioni, A.
| +1
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3
The enhancement scheme for the predictive ability of QSAR : A case of mutagenicity
enthalten in:
Toxicology in vitro : an international journal published in association with BIBRA
| 2023
von
Toropova, A.
|
Toropov, A.
|
Roncaglioni, A.
| +1
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4
The system of self-consistent models for pesticide toxicity to Daphnia magna
enthalten in:
Toxicology mechanisms and methods
| 2023
von
Toropov, A.
|
Toropova, A.
|
Roncaglioni, A.
| +1
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5
Exploring Dimensionality Reduction Techniques for Deep Learning Driven QSAR Models of Mutagenicity
enthalten in:
Toxics
| 2023
von
Kalian, A.
|
Benfenati, E.
|
Osborne, O.
| +5
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6
The validation of predictive potential via the system of self-consistent models : the simulation of blood-brain barrier permeation of organic compounds
enthalten in:
Journal of molecular modeling
| 2023
von
Toropova, A.
|
Toropov, A.
|
Roncaglioni, A.
| +3
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7
The validation of predictive potential via the system of self-consistent models: the simulation of blood–brain barrier permeation of organic compounds
enthalten in:
Journal of molecular modeling
| 2023
von
Toropova, A.
|
Toropov, A.
|
Roncaglioni, A.
| +3
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8
The validation of predictive potential via the system of self-consistent models: the simulation of blood–brain barrier permeation of organic compounds
enthalten in:
Journal of molecular modeling
| 2023
von
Toropova, A.
|
Toropov, A.
|
Roncaglioni, A.
| +3
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9
A regression-based QSAR-model to predict acute toxicity of aromatic chemicals in tadpoles of the Japanese brown frog (Rana japonica) : Calibration, validation, and future developments to support risk assessment of chemicals in amphibians
enthalten in:
The Science of the total environment
| 2022
von
Toropov, A.
|
Di Nicola, M.
|
Toropova, A.
| +7
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10
Monte Carlo Models for Sub-Chronic Repeated-Dose Toxicity : Systemic and Organ-Specific Toxicity
enthalten in:
International journal of molecular sciences
| 2022
von
Selvestrel, G.
|
Lavado, G.
|
Toropova, A.
| +5
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Thema: QSAR
Medienart
114
Aufsätze
97
E-Artikel
97
E-Ressourcen
17
Gedruckte Aufsätze
Zeitschriftentitel
15
Structural chemistry
9
Central European journal of chemistry
9
Journal of cheminformatics
8
Open chemistry
7
Methods in molecular biology (Clifton, N.J.)
7
Molecular diversity
5
Ecotoxicology and environmental safety
4
Chemosphere
4
Toxicology mechanisms and methods
3
Environmental research
3
Food and chemical toxicology : an international...
3
International journal of molecular sciences
3
Journal of hazardous materials
3
Journal of mathematical chemistry
3
Journal of molecular modeling
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The Science of the total environment
2
Aquatic toxicology (Amsterdam, Netherlands)
2
Environmental toxicology and pharmacology
2
Frontiers in pharmacology
2
Journal of nanoparticle research
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Thema
QSAR
62
Journal Article
33
Monte Carlo method
31
CORAL software
22
SMILES
19
Research Support, Non-U.S. Gov't
14
Optimal descriptor
11
Balance of correlation
9
Balance of correlations
9
Toxicity
9
Water Pollutants, Chemical
8
Carcinogenicity
7
Index of ideality of correlation
7
Mutagens
7
Organic Chemicals
7
Pesticides
6
Ames test
6
Applicability domain
6
Binding affinity
6
Co-evolutions of correlations
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Erscheinungszeitraum
37
2020-
76
2010-2019
1
2000-2009
Erscheinungsjahr(e)
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106
Englisch
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