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topic_facet:"Monte Carlo method"
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PubPharm (139)
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
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
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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7
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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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
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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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: Monte Carlo method
Medienart
139
Aufsätze
112
E-Artikel
112
E-Ressourcen
27
Gedruckte Aufsätze
Zeitschriftentitel
33
Structural chemistry
19
Molecular diversity
6
The Science of the total environment
5
Environmental science and pollution research
4
Molecular and cellular biochemistry
4
Theoretical chemistry accounts
4
Toxicology mechanisms and methods
3
Analytical and bioanalytical chemistry
3
Chemosphere
3
Ecotoxicology and environmental safety
3
Journal of mathematical chemistry
3
Journal of molecular modeling
3
Medicinal chemistry research
3
Molecules (Basel, Switzerland)
3
Monatshefte für Chemie
3
Toxicology letters
2
Environmental science and pollution research in...
2
Environmental toxicology and pharmacology
2
Journal of polymer research
2
Molecular informatics
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Thema
Monte Carlo method
84
CORAL software
70
QSAR
63
Journal Article
26
Index of ideality of correlation
26
QSPR
22
SMILES
18
Research Support, Non-U.S. Gov't
14
Quasi-SMILES
11
OECD principles
10
Toxicity
9
Polymer
8
Index of Ideality of Correlation
7
Pesticides
6
Mutagens
6
SAR
5
Mutagenicity
5
Odor threshold
5
Peptide
5
QSPR/QSAR
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Erscheinungszeitraum
54
2020-
85
2010-2019
Erscheinungsjahr(e)
Von:
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Sprache
139
Englisch
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