DaiCee

DaiCee provides a curated database of over 2,100 anti-cancer compounds annotated with physicochemical properties, molecular targets, side-effect profiles, and ADME/T information to support toxicity and efficacy assessment in drug discovery.

Key Features:

• Extensive Compound Collection: Contains over 2,100 anti-cancer drugs, including both synthetic and herbal compounds.
• Detailed Physicochemical Properties: Each compound is annotated with physicochemical characteristics relevant to molecular behavior.
• Target Identification: Provides information on specific targets of action for each compound.
• Side Effect Profiles: Includes detailed side-effect profiles for safety evaluation.
• SMILES-based Search and Filtering: Supports searching by SMILES notation and filtering based on Lipinski's rules and ADME/T properties.
• Comparative Analysis: Enables comparative screening and simultaneous evaluation of multiple compounds.
• Regular Updates: The database is maintained with regular updates to incorporate new data.

Scientific Applications:

• Oncology Drug Discovery: Supports drug discovery and development efforts focused on cancer therapeutics.
• Screening to Preclinical Testing: Facilitates workflows from initial screening through preclinical testing for candidate prioritization.
• Toxicity and Safety Assessment: Aids assessment of toxicity and adverse-effect risk to help identify candidates with favorable safety profiles.

Methodology:

The database entries were manually compiled.