Molecules (Basel, Switzerland)
Mar 1, 2023
The subcellular localization of messenger RNA (mRNA) precisely controls where protein products are synthesized and where they function. However, obtaining an mRNA's subcellular localization through wet-lab experiments is time-consuming and expensive,...
Molecules (Basel, Switzerland)
Feb 9, 2023
The prediction of drug-target interactions (DTIs) is a vital step in drug discovery. The success of machine learning and deep learning methods in accurately predicting DTIs plays a huge role in drug discovery. However, when dealing with learning algo...
Molecules (Basel, Switzerland)
Feb 3, 2023
The identification of drug-drug interactions (DDIs) plays a crucial role in various areas of drug development. In this study, a deep learning framework (KGCN_NFM) is presented to recognize DDIs using coupling knowledge graph convolutional networks (K...
Molecules (Basel, Switzerland)
Jan 31, 2023
Spiking neural networks are biologically inspired machine learning algorithms attracting researchers' attention for their applicability to alternative energy-efficient hardware other than traditional computers. In the current work, spiking neural net...
Molecules (Basel, Switzerland)
Jan 18, 2023
Producers of milk and dairy products have been faced with the challenge of responding to European society's demand for guaranteed animal welfare production. In recent years, measures have been taken to improve animal welfare conditions on farms and e...
Molecules (Basel, Switzerland)
Jan 14, 2023
Synergistic drug combinations have demonstrated effective therapeutic effects in cancer treatment. Deep learning methods accelerate identification of novel drug combinations by reducing the search space. However, potential adverse drug-drug interacti...
Molecules (Basel, Switzerland)
Jan 13, 2023
In drug discovery, compounds with well-defined activity against multiple targets (multitarget compounds, MT-CPDs) provide the basis for polypharmacology and are thus of high interest. Typically, MT-CPDs for polypharmacology have been discovered seren...
Molecules (Basel, Switzerland)
Jan 13, 2023
Confusing low-molecular-weight hyaluronic acid (LMWHA) from acid degradation and enzymatic hydrolysis (named LMWHA-A and LMWHA-E, respectively) will lead to health hazards and commercial risks. The purpose of this work is to analyze the structural di...
Molecules (Basel, Switzerland)
Dec 31, 2022
Energetic materials (EMs) are the core materials of weapons and equipment. Achieving precise molecular design and efficient green synthesis of EMs has long been one of the primary concerns of researchers around the world. Traditionally, advanced mate...
Molecules (Basel, Switzerland)
Dec 31, 2022
Developing molecular generative models for directly generating 3D conformation has recently become a hot research area. Here, an autoencoder based generative model was proposed for molecular conformation generation. A unique feature of our method is ...