Virtual Library CampaignsUp to 1,000,000 candidates

Explore chemical space at campaign scale.

Launch large molecule-generation campaigns without loading millions of structures into the browser. BayesPharma generates, canonicalizes, deduplicates, applies inexpensive first-pass property triage, persists results in batches, and lets you inspect the highest-ranked candidates progressively.

Research hypothesis generation only. A million is a requested campaign size, not a guarantee that a selected generator can produce one million unique acceptable structures. BRICS is not target-conditioned AI, and the built-in affinity value is not physical docking. Use real structure-based scoring, ADMET, novelty/IP, synthesis and experimental evidence before advancing molecules.

1 · Campaign setup

checking API

Target / programme context

Requested unique moleculesLarge requests run asynchronously.

Generator

Scaffold pool

BRICS search depthHigher depth expands combinations but can increase compute sharply.

Min MW

Max MW

Max LogP

Max TPSA

Min QED

Optional programme seed SMILES · one per lineUse chemically relevant, reviewed seeds. More seeds do not automatically mean better molecules.

Optional pocket / structure context JSON

Generator availability

Loading generator manifest…

2 · Campaign progress

not started

Campaign ID

—

No campaign yet

Progress0%

Accepted0

Generated0

Rejected + duplicate0

3 · Top candidates

Cheap first-pass triage · not final selection

Top candidates appear as the campaign progresses.

4 · Browse campaign library

0 candidates

#	SMILES	MPO	MW	LogP	TPSA	QED	Alerts
Start a campaign to browse candidates.