Chemaxon newsroom
Marvinsketch
Filter by content type
Analysis of the Frequency and Diversity of 1,3-Dialkylimidazolium Ionic Liquids Appearing in the Literature
The hypothetical assertion that there are potentially millions of ionic liquids (ILs) can be...
A Structure- and Ligand-Based Virtual Screening of a Database of “Small” Marine Natural Products for the Identification of “Blue” Sigma-2 Receptor Ligands
Sigma receptors are a fascinating receptor protein class whose ligands are actually under clinical...
Emerging Fluorescent Molecular Tracers to Guide Intra-Operative Surgical Decision-Making
Fluorescence imaging is an emerging technology that can provide real-time information about the...
Simultaneous Detection of Oxygen and Hydrogen Peroxide on Fluorine Doped Tin Oxide Electrodes
Hydrogen peroxide is an unstable oxidizer that occurs naturally in the marine environment. In...
Foodinformatics: Quantitative Structure-Property Relationship Modeling of Volatile Organic Compounds in Peppers
The aim of this work was the foodinformatic (chemoinformatic) modeling of volatile organic...
Design, Synthesis, and Biological Evaluation of a New Series of Carvedilol Derivatives
Aminoglycosides (AGs) are broad-spectrum antibiotics used for the treatment of serious bacterial...
Inhibition of Human Drug Transporter Activities by the Pyrethroid Pesticides Allethrin and Tetramethrin
Pyrethroids are widely-used chemical insecticides, to which humans are commonly exposed, and known...
LigQ: A Webserver to Select and Prepare Ligands for Virtual 2 Screening
Virtual screening is a powerful methodology to search for new small molecule inhibitors against a...
Data Visualization, Regression, Applicability Domains and Inverse Analysis Based on Generative Topographic Mapping
This paper introduces two generative topographic mapping (GTM) methods that can be used for data...
QSARs to predict adsorption affinity of organic micropollutants for activated carbon and b-cyclodextrin polymer adsorbents
The removal of organic micropollutants (MPs) from water by means of adsorption is determined by the...
Morphing of Ibogaine: A Successful Attempt into the Search for Sigma-2 Receptor Ligands
Ibogaine is a psychoactive indole alkaloid with high affinity for several targets including the σ2...
Structural and Thermodynamic Basis of (+)-α-Pinene Binding to Human Cytochrome P450 2B6
Despite recent advances in atomic-level understanding of drug and inhibitor interactions with human...