In Silico ADMET and Toxicity Predictions for Compound 3i Versus Streptomycin

Computational ADMET and toxicity predictions compare a novel compound, 3i, against the established antibiotic streptomycin. The dataset is a single Excel file of 5.5 KB, created by author Saad Alghamdi and last updated in April 2026.

Use Cases

• Compare predicted absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of compound 3i against streptomycin.
• Analyze specific toxicity endpoint predictions, such as hepatotoxicity or mutagenicity, for both compounds.
• Use the in silico property scores to prioritize compound 3i for further experimental validation in drug discovery pipelines.

Strengths

• Provides a direct, structured comparison between a novel compound and a known drug standard.
• Dataset is openly licensed under CC-BY-4.0 for reuse and redistribution.

Limitations

• Extremely limited scope with only two compounds compared, offering no broader statistical power.
• Tiny dataset size of 5.5 KB indicates minimal predictive features or output metrics.
• Relies entirely on in silico model predictions without accompanying experimental validation data.

Provenance

Source

Figshare, authored by Saad Alghamdi.

Collection Method

Generated via in silico prediction tools; specific software not stated.

Time Range

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Freshness

Last updated in April 2026, indicating recent computational analysis.

Geography

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