It’s a common enough scenario in many synthesis labs: you know what starting material you have, and you know what product you need but not quite what reaction conditions will get you there. Unless you ...

Marine animals, such as the extremely simple flatworm Trichoplax, are ideal model organisms for studying the early ...

Researchers from Guangxi University, China have developed a new gas sensor that detects ammonia with a record speed of 1.4 ...

Jointly training seemingly unrelated tasks, such as Molcap and the Quantum Mechanics Property Prediction Task, can also lead to performance improvements for both. DATA_BASE_DIR str Base directory of ...

Ouroboros is an unified framework that seamlessly integrates representation learning with molecular generation and therefore allows efficient chemical space exploration through pre-trained molecular ...

Abstract: In this paper, a drug molecule conformation prediction method based on a two-way constraint model is proposed, aiming to cope with the complexity and challenges in the drug design process.

Introduction: Protein adsorption to biomaterials is a well-known phenomenon thought to contribute to the progression of the foreign body reaction (FBR). While the contribution of serum proteins has ...

Abstract: To address the issue that the dynamic characteristics of the rotor of the high-speed magnetic levitation molecular pump are difficult to calculate and analyze, a simplified modeling method ...