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PubPharm (12)
1
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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2
Understanding the Binding Specificity of G-Protein Coupled Receptors toward G-Proteins and Arrestins : Application to the Dopamine Receptor Family
enthalten in:
Journal of chemical information and modeling
| 2020
von
Preto, A.
|
Barreto, C.
|
Baptista, S.
| +7
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3
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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4
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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5
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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6
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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7
Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands
enthalten in:
Journal of chemical information and modeling
| 2015
von
Castillo-González, D.
|
Mergny, J.
|
De Rache, A.
| +14
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8
Molecular dynamics simulations of complex mixtures aimed at the preparation of naproxen-imprinted xerogels
enthalten in:
Journal of chemical information and modeling
| 2014
von
Concu, R.
|
Perez, M.
|
Cordeiro, M.
| +1
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9
Jointly handling potency and toxicity of antimicrobial peptidomimetics by simple rules from desirability theory and chemoinformatics
enthalten in:
Journal of chemical information and modeling
| 2011
von
Cruz-Monteagudo, M.
|
Borges, F.
|
Cordeiro, M.
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10
Jointly Handling Potency and Toxicity of Antimicrobial Peptidomimetics by Simple Rules from Desirability Theory and Chemoinformatics
enthalten in:
Journal of chemical information and modeling
| 2011
von
Cruz-Monteagudo, M.
|
Borges, F.
|
Cordeiro, M.
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1
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Zeitschrift: Journal of chemical information and modeling
Medienart
12
Aufsätze
10
E-Artikel
10
E-Ressourcen
2
Gedruckte Aufsätze
Zeitschriftentitel
Journal of chemical information and modeling
Thema
10
Journal Article
9
Research Support, Non-U.S. Gov't
2
Ligands
1
059QF0KO0R
1
57Y76R9ATQ
1
Acridines
1
Anti-Infective Agents
1
Arrestins
1
BRACO-19
1
EC 3.6.1.-
1
EC 3.6.3.14
1
Enzyme Inhibitors
1
GTP-Binding Proteins
1
Gels
1
Nanotubes, Carbon
1
Naproxen
1
Peptidomimetics
1
Proton-Translocating ATPases
1
Receptors, Adrenergic, beta-2
1
Receptors, Dopamine
Alle anzeigen ...
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Erscheinungszeitraum
2
2020-
10
2010-2019
Erscheinungsjahr(e)
Von:
Bis:
Sprache
10
Englisch
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