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PubPharm (351)
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
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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3
Quasi-SMILES as a basis to build up models of endpoints for nanomaterials
enthalten in:
Environmental technology
| 2023
von
Toropova, A.
|
Toropov, A.
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4
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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5
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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6
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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7
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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8
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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9
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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10
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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Medienart: Aufsätze
Medienart
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254
E-Artikel
254
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97
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Zeitschriftentitel
45
Structural chemistry
24
Molecular diversity
18
Chemosphere
17
Central European journal of chemistry
14
Journal of mathematical chemistry
12
Current computer-aided drug design
11
Ecotoxicology and environmental safety
10
European journal of medicinal chemistry
9
The Science of the total environment
7
Environmental science and pollution research
7
Environmental toxicology and pharmacology
7
Toxicology letters
6
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6
Journal of molecular structure / Theochem
6
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6
Toxicology mechanisms and methods
5
Chemical biology & drug design
5
Chemometrics and intelligent laboratory systems
5
Environmental science and pollution research in...
4
Anti-cancer agents in medicinal chemistry
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Thema
142
Journal Article
139
CORAL software
139
Monte Carlo method
118
QSAR
60
SMILES
54
Research Support, Non-U.S. Gov't
49
QSPR
34
Index of ideality of correlation
23
Optimal descriptor
21
Quasi-SMILES
17
Mutagens
15
OECD principles
14
Research Support, U.S. Gov't, Non-P.H.S.
14
Toxicity
11
Polymer
10
Index of Ideality of Correlation
10
Review
10
SAR
9
Balance of correlations
9
Fullerene
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Erscheinungszeitraum
87
2020-
245
2010-2019
19
2000-2009
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Englisch
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