MolBiC: the cell-based landscape illustrating molecular bioactivities.

Area of Science:

• Biomedicine
• Drug Discovery
• Bioinformatics

Background:

• Cell-based molecular bioactivity (CMB) is vital for drug development.
• Existing resources lack comprehensive CMB data for AI-driven drug discovery.

Purpose of the Study:

• Introduce MolBiC, a novel knowledge base for cellular context molecular bioactivity data.
• Provide a valuable resource to facilitate AI-powered drug discovery and development.

Main Methods:

• Compiled and curated a large dataset of experimentally validated CMBs.
• Integrated data on molecules, targets, and cell lines.

Main Results:

• MolBiC contains 550,093 experimentally validated CMBs.
• The database includes 321,086 molecules, 2,666 targets, and 988 cell lines.
• MolBiC is freely accessible online.

Conclusions:

• MolBiC addresses the critical need for CMB data in modern drug discovery.
• The database supports the learning of cell-based patterns for pharmaceutical development.
• MolBiC is a unique and valuable resource for the scientific community.