CLC-DB (Chiral Ligand and Catalyst Database)

CLC-DB provides comprehensive data on 1,861 chiral ligands and catalysts spanning 32 distinctive categories to accelerate research in asymmetric catalysis.

Key Features:

• Curated molecular data: Each entry contains 34 types of annotated information validated by chemical experts and linked to authoritative chemical databases.
• Search functionality: Supports efficient single and batch searches for database entries.
• Molecular clustering tool: Integrated, high-performance online molecular clustering tool facilitates computational analyses.

Scientific Applications:

• Asymmetric catalysis research: Enables accelerated design and optimization of chiral ligands and catalysts through comprehensive molecular data and computational analysis capabilities.
• Machine learning model development: Addresses data scarcity limitations in computational methods for predicting and modeling chiral catalyst performance.

Methodology:

Data curation and validation by chemical experts; integration with authoritative chemical databases; implementation of an online molecular clustering tool for computational analyses.