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publishDate:"[2010 TO 2019]"
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PubPharm (173)
1
Alignment-Free Method to Predict Enzyme Classes and Subclasses
enthalten in:
International journal of molecular sciences
| 2019
von
Concu, R.
|
Cordeiro, M.
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2
New Workflow for QSAR Model Development from Small Data Sets : Small Dataset Curator and Small Dataset Modeler. Integration of Data Curation, Exhaustive Double Cross-Validation, and a Set of Optimal Model Selection Techniques
enthalten in:
Journal of chemical information and modeling
| 2019
von
Ambure, P.
|
Gajewicz-Skretna, A.
|
Cordeiro, M.
| +1
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3
CompScore : Boosting Structure-Based Virtual Screening Performance by Incorporating Docking Scoring Function Components into Consensus Scoring
enthalten in:
Journal of chemical information and modeling
| 2019
von
Perez-Castillo, Y.
|
Sotomayor-Burneo, S.
|
Jimenes-Vargas, K.
| +7
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4
Structural and energetic evolution of fibrinogen toward to the betablocker interactions
enthalten in:
International journal of biological macromolecules
| 2019
von
González-Durruthy, M.
|
Scanavachi, G.
|
Rial, R.
| +4
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5
Distance Angle Descriptors of the Interionic and Ion-Solvent Interactions in Imidazolium-Based Ionic Liquid Mixtures with Aprotic Solvents : A Molecular Dynamics Simulation Study
enthalten in:
The journal of physical chemistry. B
| 2019
von
Koverga, V.
|
Smortsova, Y.
|
Miannay, F.
| +6
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6
QSAR-Co : An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models
enthalten in:
Journal of chemical information and modeling
| 2019
von
Ambure, P.
|
Halder, A.
|
González Díaz, H.
| +1
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7
MitoTarget Modeling Using ANN-Classification Models Based on Fractal SEM Nano-Descriptors : Carbon Nanotubes as Mitochondrial F0F1-ATPase Inhibitors
enthalten in:
Journal of chemical information and modeling
| 2019
von
González-Durruthy, M.
|
Manske Nunes, S.
|
Ventura-Lima, J.
| +5
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8
Ensemble-Based Modeling of Chemical Compounds with Antimalarial Activity
enthalten in:
Current topics in medicinal chemistry
| 2019
von
Caballero-Alfonso, A.
|
Cruz-Monteagudo, M.
|
Tejera, E.
| +5
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9
Improving Vibrational Mode Interpretation Using Bayesian Regression
enthalten in:
Journal of chemical theory and computation
| 2019
von
Teixeira, F.
|
Cordeiro, M.
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10
Ensemble-Based Modeling of Chemical Compounds with Antimalarial Activity
enthalten in:
Current topics in medicinal chemistry
| 2019
von
Caballero-Alfonso, A.
|
Cruz-Monteagudo, M.
|
Tejera, E.
| +5
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Erscheinungsjahr: 2010-2019
Medienart
173
Aufsätze
113
E-Artikel
113
E-Ressourcen
60
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Zeitschriftentitel
12
Current topics in medicinal chemistry
10
Journal of chemical information and modeling
9
Physical chemistry chemical physics : PCCP
8
Bioorganic & medicinal chemistry
8
Molecular diversity
6
European journal of medicinal chemistry
6
Physical chemistry, chemical physics
5
The journal of physical chemistry
5
The journal of physical chemistry. B
4
Langmuir : the ACS journal of surfaces and coll...
3
BMC medical genomics
3
Drug discovery today
3
Inorganic chemistry
3
International journal of molecular sciences
3
Journal of catalysis
3
Journal of molecular structure / Theochem
3
Journal of solution chemistry
3
Langmuir
3
Medicinal chemistry research
3
Mini reviews in medicinal chemistry
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Thema
90
Journal Article
49
Research Support, Non-U.S. Gov't
12
Review
9
Antineoplastic Agents
7
Design
7
Ligands
4
Breast cancer
4
Fragments
4
Monoamine Oxidase Inhibitors
4
Mtk-computational model
4
Multi-target inhibitor
4
QSAR
4
Quantitative contributions
4
Receptor, Adenosine A3
3
ADMET
3
Antibacterial
3
Cocaine
3
Cocaine metabolites
3
EC 1.4.3.4
3
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Erscheinungszeitraum
2010-2019
10
2019
12
2018
24
2017
15
2016
12
2015
15
2014
21
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19
2012
23
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22
2010
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