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PubPharm (102)
1
Scipion-Chem : An Open Platform for Virtual Drug Screening
enthalten in:
Journal of chemical information and modeling
| 2023
von
Del Hoyo, D.
|
Salinas, M.
|
Lomas, A.
| +3
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2
Benzodioxane-Benzamides as FtsZ Inhibitors : Effects of Linker's Functionalization on Gram-Positive Antimicrobial Activity
enthalten in:
Antibiotics (Basel, Switzerland)
| 2023
von
Suigo, L.
|
Margolin, W.
|
Ulzurrun, E.
| +6
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3
Allosteric modulation of the CXCR4:CXCL12 axis by targeting receptor nanoclustering via the TMV-TMVI domain
enthalten in:
bioRxiv.org
| 2023
von
García-Cuesta, E.
|
Martínez, P.
|
Selvaraju, K.
| +19
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4
N'-Phenylacetohydrazide Derivatives as Potent Ebola Virus Entry Inhibitors with an Improved Pharmacokinetic Profile
enthalten in:
Journal of medicinal chemistry
| 2023
von
Garcia-Rubia, A.
|
Lasala, F.
|
Ginex, T.
| +14
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5
Design of New Dispersants Using Machine Learning and Visual Analytics
enthalten in:
Polymers
| 2023
von
Martínez, M.
|
Naveiro, R.
|
Soto, A.
| +10
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6
Explainable artificial intelligence : A taxonomy and guidelines for its application to drug discovery
enthalten in:
Wiley Interdisciplinary Reviews: Computational Molecular Science
| 2023
von
Ponzoni, I.
|
Páez Prosper, J.
|
Campillo, N.
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7
Multitask Deep Neural Networks for Ames Mutagenicity Prediction
enthalten in:
Journal of chemical information and modeling
| 2022
von
Martínez, M.
|
Sabando, M.
|
Soto, A.
| +5
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8
Multitarget drugs as potential therapeutic agents for alzheimer's disease. A new family of 5-substituted indazole derivatives as cholinergic and BACE1 inhibitors
enthalten in:
Journal of enzyme inhibition and medicinal chemistry
| 2022
von
González-Naranjo, P.
|
Pérez, C.
|
González-Sánchez, M.
| +7
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9
Naphthoquinone as a New Chemical Scaffold for Leishmanicidal Inhibitors of Leishmania GSK-3
enthalten in:
Biomedicines
| 2022
von
Sebastián-Pérez, V.
|
Martínez de Iturrate, P.
|
Nácher-Vázquez, M.
| +5
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10
Multi-Task Deep Neural Networks for Ames Mutagenicity Prediction
enthalten in:
chemRxiv.org
| 2022
von
Martínez, M.
|
Sabando, M.
|
Soto, A.
| +5
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Cholinesterase Inhibitors
8
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7
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7
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7
EC 2.7.11.26
7
Enzyme Inhibitors
7
Glycogen Synthase Kinase 3
6
Acetylcholinesterase
6
Alzheimer's disease
6
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5
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5
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5
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Indazoles
5
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2010-2019
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