Conformer Alignment

Interactive 3D conformer alignment to visualise shape and pharmacophore overlap.

Docs coming soon

A dedicated Conformer Alignment product guide is in progress.

Conformer Alignment superimposes 3D conformers of a retrieved molecule onto a query to visualise how well their shapes and pharmacophoric features overlap (MCS, MCS-constrained, and Open3DAlign methods).

For the method details as used inside CHEESE Search, see CHEESE → Conformer Alignment.

CHEESE SynthonGPT

Trillion-scale, synthon-based search across 40T+ molecules with fully adaptive metrics.

Synthonor

Synthon-space tooling for enumeration and optimization over make-on-demand libraries.