2 papers
q-bio.QM2025
Drug discovery guided by maximum drug likeness
Hao-Yu Zhu, Shi-Jie Du, Lu Xu +1
To overcome the high attrition rate and limited clinical translatability in drug discovery, we introduce the concept of Maximum Drug-Likeness (MDL) and develop an applicable Fivefo…
physics.chem-ph2023
Deep Electron Cloud-activity and Field-activity Relationships
Lu Xu, Qin Yang
Chemists have been pursuing the general mathematical laws to explain and predict molecular properties for a long time. However, most of the traditional quantitative structure-activ…