Small web tools for computational chemistry workflows in your browser.
Try the Compound Identifier CheckerResolving a compound identifier tells you what a database thinks a name points to. It doesn't tell you the structure is correct, current, or the one your assay actually used. Ligandly's tools keep those two questions separate.
The working principle behind every tool on this site.
Paste a name, CAS number, or SMILES and see exactly what PubChem resolves it to, with mismatches surfaced rather than hidden. Password required while in private beta.
Open tool →Receptor preparation checklists and redocking validation.
Short explainers on MSI identification levels, LE thresholds, and other in silico conventions.
Ligandly is built for the same kind of workflow it started in: checking a compound before it becomes a data point. No accounts, no dashboards, just tools that do one thing and say plainly what they don't do.