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topic_facet:"CORAL software"
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PubPharm (139)
1
The coefficient of conformism of a correlative prediction (CCCP) : Building up reliable nano-QSPRs/QSARs for endpoints of nanoparticles in different experimental conditions encoded via quasi-SMILES
enthalten in:
The Science of the total environment
| 2024
von
Toropova, A.
|
Toropov, A.
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2
Semi-Correlations for Building Up a Simulation of Eye Irritation
enthalten in:
Toxics
| 2023
von
Toropov, A.
|
Toropova, A.
|
Roncaglioni, A.
| +1
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3
The System of Self-Consistent Models : The Case of Henry's Law Constants
enthalten in:
Molecules (Basel, Switzerland)
| 2023
von
Toropov, A.
|
Toropova, A.
|
Roncaglioni, A.
| +3
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4
Using the local symmetry in amino acids sequences of polypeptides to improve the predictive potential of models of their inhibitor activity
enthalten in:
Amino acids
| 2023
von
Toropova, A.
|
Toropov, A.
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5
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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6
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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7
Cheminformatics and Machine Learning Approaches to Assess Aquatic Toxicity Profiles of Fullerene Derivatives
enthalten in:
International journal of molecular sciences
| 2023
von
Fjodorova, N.
|
Novič, M.
|
Venko, K.
| +6
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8
Using the Correlation Intensity Index to Build a Model of Cardiotoxicity of Piperidine Derivatives
enthalten in:
Molecules (Basel, Switzerland)
| 2023
von
Toropova, A.
|
Toropov, A.
|
Roncaglioni, A.
| +1
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9
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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10
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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Thema: CORAL software
Medienart
139
Aufsätze
113
E-Artikel
113
E-Ressourcen
26
Gedruckte Aufsätze
Zeitschriftentitel
39
Structural chemistry
7
Molecular diversity
6
Central European journal of chemistry
6
Medicinal chemistry research
6
The Science of the total environment
4
Chemosphere
4
Environmental science and pollution research
4
Environmental toxicology and pharmacology
3
Analytical and bioanalytical chemistry
3
Chemical papers
3
Journal of mathematical chemistry
3
Journal of molecular modeling
3
Toxicology mechanisms and methods
3
Toxics
2
Bio Systems
2
Environmental science and pollution research in...
2
European journal of medicinal chemistry
2
Food and chemical toxicology : an international...
2
Journal of nanoparticle research
2
Journal of polymer research
Alle anzeigen ...
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Thema
CORAL software
84
Monte Carlo method
63
QSAR
62
Journal Article
35
SMILES
28
QSPR
17
Index of ideality of correlation
15
Research Support, Non-U.S. Gov't
12
OECD principles
12
Quasi-SMILES
12
Toxicity
7
QSPR/QSAR
7
Retention factor
6
)
6
Index of ideality of correlation (
6
Optimal descriptor
6
Review
6
SAR
5
Odor threshold
5
Organic Chemicals
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Erscheinungszeitraum
41
2020-
98
2010-2019
Erscheinungsjahr(e)
Von:
Bis:
Sprache
139
Englisch
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