SCORCH2: a generalised heterogeneous consensus model for high-enrichment interaction-based virtual screening

• Published in: bioRxiv
• Main Authors: Chen, Lin, Blay, Vincent, Ballester, Pedro J., Houston, Douglas R.
• Format: Paper
• Language: English
• Published: Cold Spring Harbor Laboratory 16.04.2025
• Edition: 1.2
• Subjects: Bioinformatics; Virtual screening; Molecular interaction; Machine learning; Python

The discovery of effective therapeutics remains a complex, costly, and time-consuming endeavor, characterized by high failure rates and significant resource investments. A central bottleneck in early-stage drug discovery is identifying suitable hit compounds with moderate affinity for known biologic...