ADMET Characteristics of Potent Biaryl Antimicrobial Compound 3i

One compound, 3i, exhibited the most potent antibacterial activity against Gram-positive and Gram-negative strains. The dataset contains key ADMET characteristics for this compound, synthesized and evaluated by Saad Alghamdi. The data was last updated in April 2026.

Use Cases

• Predict in vitro antimicrobial activity against S. aureus, E. coli, and C. albicans based on ADMET characteristics.
• Correlate molecular docking scores with experimental toxicity profiling data for compound 3i.
• Use ADMET data for 3i as a benchmark for virtual screening of new biaryl derivative libraries.

Strengths

• Focuses on the single most potent compound identified from a series of synthesized biaryl analogues.
• Includes computational safety profiling data alongside in vitro antimicrobial activity results.
• Data is openly available under a CC-BY-4.0 license.

Limitations

• Dataset is extremely small at 5.5 KB, containing data for only one primary compound.
• No sample data or column names are provided, limiting understanding of the data structure.
• Findings are preliminary, based on in vitro screening and requiring validation against resistant strains and in vivo models.

Provenance

Source

Saad Alghamdi via figshare.

Collection Method

Data derived from chemical synthesis, in vitro antimicrobial assays, and computational modeling (molecular docking, toxicity profiling).

Freshness

Last updated in April 2026.