A novel C4-modified bipyridinium stationary phase (Sil-DPC4) was prepared and
characterized by elemental analysis (EA) and Fourier transform infrared spectrometry (FT …

The enormous versatility of liquid chromatography (LC) arises from the numerous retention
principles that can be exploited for generating differential retention of target analytes …

The retention time (RT) is a crucial source of data for liquid chromatography-mass
spectrometry (LCMS). A model that can accurately predict the RT for each molecule would …

With the large‐scale development of drugs, understanding the drug phase behaviors in
complex systems becomes more and more important. Among them, the solubility of drugs in …

Retention time (RT) can provide orthogonal information different from that of mass
spectrometry and contribute to identifying compounds. Many machine learning methods …

We present the open-source framework kallisto that enables the efficient and robust
calculation of quantum mechanical features for atoms and molecules. For a benchmark set …

Reversed-phase liquid chromatography encompasses a family of separation techniques
characterized by the distribution of compounds between a water-containing mobile phase …

Herein, a standalone software equipped with a graphic user interface (GUI) is developed to
predict liquid chromatography mass spectrometry (LC–MS) retention times (RTs) of …

Abstract Supercritical Fluid Chromatography (SFC), a high-throughput separation technique,
has been widely applied as a promising routine method in pharmaceutical, pesticides, and …

Background Novel psychoactive substances (NPS) are a group of substances, mainly of
synthetic origin, characterized by toxicological properties extremely dangerous. The main …