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PubPharm (134)
1
Data-Driven, Explainable Machine Learning Model for Predicting Volatile Organic Compounds' Standard Vaporization Enthalpy
enthalten in:
Chemosphere
| 2024
von
Ferraz-Caetano, J.
|
Teixeira, F.
|
Cordeiro, M.
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2
Explainable Supervised Machine Learning Model To Predict Solvation Gibbs Energy
enthalten in:
Journal of chemical information and modeling
| 2024
von
Ferraz-Caetano, J.
|
Teixeira, F.
|
Cordeiro, M.
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3
Magnetic Ionic Liquids : Current Achievements and Future Perspectives with a Focus on Computational Approaches
enthalten in:
Chemical reviews
| 2024
von
Figueiredo, N.
|
Voroshylova, I.
|
Ferreira, E.
| +2
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4
Predicting the ecotoxicity of endocrine disruptive chemicals : Multitasking in silico approaches towards global models
enthalten in:
The Science of the total environment
| 2023
von
Halder, A.
|
Moura, A.
|
Cordeiro, M.
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5
Optimizing drug discovery using multitasking models for quantitative structure-biological effect relationships : an update of the literature
enthalten in:
Expert opinion on drug discovery
| 2023
von
Kleandrova, V.
|
Cordeiro, M.
|
Speck-Planche, A.
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6
Multi-model in silico characterization of 3-benzamidobenzoic acid derivatives as partial agonists of Farnesoid X receptor in the management of NAFLD
enthalten in:
Computers in biology and medicine
| 2023
von
Mitra, S.
|
Halder, A.
|
Ghosh, N.
| +2
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7
Probing the Allosteric Modulation of P-Glycoprotein : A Medicinal Chemistry Approach Toward the Identification of Noncompetitive P-Gp Inhibitors
enthalten in:
ACS omega
| 2023
von
Bonito, C.
|
Ferreira, R.
|
Ferreira, M.
| +5
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8
Long-range communication between transmembrane- and nucleotide-binding domains does not depend on drug binding to mutant P-glycoprotein
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Bonito, C.
|
Ferreira, R.
|
Ferreira, M.
| +3
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9
A simple electrochemical detection of atorvastatin based on disposable screen-printed carbon electrodes modified by molecularly imprinted polymer : Experiment and simulation
enthalten in:
Analytica chimica acta
| 2022
von
Rebelo, P.
|
Pacheco, J.
|
Voroshylova, I.
| +3
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10
An integrated protocol to study hydrogen abstraction reactions by atomic hydrogen in flexible molecules : application to butanol isomers
enthalten in:
Physical chemistry chemical physics : PCCP
| 2022
von
Ferro-Costas, D.
|
Cordeiro, M.
|
Fernández-Ramos, A.
ErratumIn: Phys Chem Chem Phys. 2022 Feb 16;24(7):4683. - PMID 35118488
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Thema: Journal Article
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134
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Zeitschriftentitel
11
Physical chemistry chemical physics : PCCP
10
Current topics in medicinal chemistry
10
Journal of chemical information and modeling
8
Bioorganic & medicinal chemistry
7
The journal of physical chemistry. B
4
International journal of molecular sciences
4
Langmuir : the ACS journal of surfaces and coll...
4
Molecules (Basel, Switzerland)
4
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3
European journal of medicinal chemistry
3
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2
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2
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2
Dental materials : official publication of the ...
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Drug discovery today
2
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2
International journal of biological macromolecules
2
Mini reviews in medicinal chemistry
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Thema
Journal Article
68
Research Support, Non-U.S. Gov't
17
Review
11
Ligands
10
Antineoplastic Agents
6
QSAR
4
059QF0KO0R
4
Monoamine Oxidase Inhibitors
4
Receptor, Adenosine A3
4
Water
3
7782-42-5
3
9001-32-5
3
Anti-Infective Agents
3
EC 1.4.3.4
3
Fibrinogen
3
Glycine
3
Graphite
3
Monoamine Oxidase
3
Organic Chemicals
3
Solvents
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Erscheinungszeitraum
29
2020-
90
2010-2019
15
2000-2009
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Sprache
134
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