ISM Benchmarks: ADMET (Insilico)

28-endpoint ADMET benchmark suite on ScienceAIBench/InsilicoBench/DDB.

Composite score: 84.6

Rubric (1–5 per criterion)

rigor

4/5

coverage

4/5

maintenance

5/5

adoption

3/5

quality

4/5

accessibility

5/5

industry_relevance

5/5

Metadata

Stages

Lead ID / ADMETIND-enabling

Modalities

small-molecule

Task types

admet-regressionadmet-classification

License

CC-BY

First release

2025-02

Last updated

2026-04

Flags

none

Size & scope

benchmarks: 28

Primary paper

Title

ISM ADMET benchmark methodology

Authors

I, n, s, i, l, i, c, o, , A, I, , T, e, a, m

Year

2025

DOI / arXiv

N/A — portal

Citations

Hosted by (initiatives)

ScienceAIBench
InsilicoBench
Drug Discovery Benchmarks (DDB)

Experts (primary authors / maintainers)

Alex Zhavoronkov
Alex Aliper

Groups (host labs / companies / consortia)

Insilico Medicine

Related benchmarks

TDC ADMET Group
ADMET-AI

Notes (honest caveats)

Broader endpoint coverage than TDC ADMET. Side-by-side with TDC mirror on DDB.