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Predicting ADME properties of small molecules v1.0.0

Use this resource to predict solubility, permeability and logD for molecules from their SMILES

New

  • 439 downloads
  • 150 likes
  • 104 saves

Free

Install with the CLI

In a terminal, from the folder you want:

npx --yes palatekit@latest install small-molecule-adme-prediction

With no option, the skill goes to ~/.agents/skills/; add --agent claude-code (or codex, cursor…) to target an agent.

First time: connect the CLI with

npx --yes palatekit@latest login

The agent runs Tier-1 ADME/ADMET prediction on your SMILES in synchronous mode, then saves the results molecule by molecule. For a ranking against a target, the screening skill is the better fit.

Mostly picked by

Updated November 2, 2026

Card for the “Predicting ADME properties of small molecules” skill

Details

Works in
Install guides
Generates with
Your agent's model
Licence
MIT

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What you get

  • SKILL.md: launch command and output path
  • references/api.md: API parameters
  • references/results.md: reading ADME results

Good fit for

  • You want to sort a list of molecules by solubility
  • You have SMILES with no target and need a permeability profile

Not for

    Tags

    • adme
    • smiles
    • solubility
    • logd
    • molecule

    About

    You say

    “Calculate the solubility and logD of these three SMILES with Boltz.”

    Card for the “Predicting ADME properties of small molecules” skill

    Skill published by openai under the MIT license, delivered in its original version.

    Show more

    How to use it

    1. Install the skill in your agent's skills folder
    2. Ask your agent to predict solubility, permeability and logD for molecules from their SMILES
    3. Review and adjust the result

    Content preview

    Files

    • agents/openai.yaml0.3 KB
    • LICENSE11.3 KB
    • NOTICE-PALATEKIT.md0.5 KB
    • references/api.md4.6 KB
    • references/results.md2.2 KB
    • SKILL.md6.5 KB

    Origin and licence

    Listed unmodified

    Author
    openai
    Source
    github.com/openai/plugins/tree/0722921d5542fc593105c27bd52630babd8b8c2a/plugins/boltz-api-cli/skills/boltz-small-molecule-adme
    Licence
    MIT

    Notice

    « boltz-small-molecule-adme » (openai, MIT) livré dans sa version d'origine : fiche en français et en anglais par PalateKit.

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