Pharmacology & ToxicologybioRxivPreprint
Pan-Screening the Structural Predictability of Drug Toxicity: Validation of Molecular Fingerprints
Wei Jiang, Xiange Jian, Hu Jie…·徐素仿
This paper evaluates the predictability of drug structures against adverse reactions using molecular fingerprints, identifies high-confidence toxicities, and demonstrates the effectiveness of MACCS fingerprints for safety screening.
DOI 10.64898/2026.09.27.754850