Chemaxon blog

12 09 2020
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Discovery of small molecule inhibitors of adenovirus by disrupting E3-19K/ HLA-A2 interactions

The binding of the adenovirus (Ad) protein E3-19K with the human leukocyte antigen (HLA) plays an...

12 09 2020
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Workshop: Building a Drug Discovery Workflow in 8+1 steps with KNIME

This workshop focuses on how cheminformatics tools can be used in chemical research and development...

12 09 2020
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Anandamide targets aromatase: A breakthrough on human decidualization

In each menstrual cycle endometrial stromal cells (hESC) proliferate and differentiate into...

12 09 2020
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Cellular Uptake of the Atypical Antipsychotic Clozapine Is a Carrier- Mediated Process

The weak base antipsychotic clozapine is the most effective medication for treating refractory...

12 09 2020
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Webinar: Chemical Descriptors and Standardizers for Machine Learning Models

Types and confi gurations of chemical descriptors available to machine learning models The effects...

12 09 2020
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Terpenoids from Euphorbia pedroi as Multidrug-Resistance Reversers

The phytochemical study of Euphorbia pedroi led to the isolation of a new tetracyclic triterpenoid...

12 09 2020
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Bougainvillea Genus: A Review on Phytochemistry, Pharmacology, and Toxicology

This review discusses the current knowledge of the phytochemistry and in vitro and in vivo...

12 09 2020
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Prediction and Interpretable Visualization of Retrosynthetic Reactions using Graph Convolutional Networks

Recently, many research groups have been addressing data-driven approaches for (retro)synthetic...

12 09 2020
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5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology

Drugs frequently require interactions with multiple targets—via a process known as...

12 09 2020
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Microwave-activated carbons from tucuma (Astrocaryum aculeatum) seed for efficient removal of 2-nitrophenol from aqueous solutions

Activated carbons (ACs) prepared from tucumã seed (Astrocaryum aculeatum) were used for...

12 09 2020
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Adsorption of perfluoroalkyl substances (PFAS) in groundwater by granular activated carbons: Roles of hydrophobicity of PFAS and carbon characteristics

ABSTRACT: The adsorption breakthrough behavior of nine perfluoroalkyl substances (PFAS) in...

12 09 2020
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Assessment of river sediment toxicity: Combining empirical zebrafish embryotoxicity testing with in silico toxicity characterization

ABSTRACT: Quantitative chemical analyses of 428 organic contaminants (OCs) indicated the presence...