QSAR Descriptor Planner

An advanced planning tool provided by Bioinformatics Gate to help researchers and students streamline their computational chemistry workflows. Easily browse uploaded descriptors, link them to common structure features, and estimate a safe maximum descriptor count based on your training-set size before building a QSAR / AR model.

This version is static and rule-based. It organizes, filters, and recommends descriptor families, but serves as a planner rather than a chemistry engine (it does not parse molecules or calculate descriptors from SMILES/SDF directly).

1) Training-set planner

Preferred maximum descriptors
3
Based on a stricter 10:1 compounds-to-descriptor planning rule.
Upper warning limit
6
Based on a looser 5:1 rule-of-thumb.

2) Common structure features

Pick one or more features you want the model to represent. The table will show matching descriptors and explain why each one is useful.

3) Optional filters

This planner helps with descriptor preselection. Final descriptor choice should still pass variance filtering, correlation filtering, multicollinearity checks, and mechanistic sanity review.
A static HTML file cannot truly predict molecule-specific common features from raw structure by itself. For real feature detection from a compound, you would need a chemistry parser or descriptor engine.

Descriptor table

All uploaded descriptors are included with feature mapping, family assignment, and practical use guidance.
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Code Class Description Main family Common structure feature(s) Why use it

"Because I struggled with this just as you might be struggling now, I decided to build this tool to put an end to that suffering. Please remember me in your prayers." — Developed by Israa M. Shamkh

BioInformatics Gate

The first Arabic platform specialized in bioinformatics and computational science in the Middle East.