CrystalsFirst hits the next technology milestone by enabling parallel multi-target campaigns on its MAGNET platform.

CrystalsFirst has achieved the next technological milestone – large scale multi-target generative AI framework for fragment evolution, H2L and lead opt.

FragAI incorporates proprietary algorithms and a framework for generative molecular design with “3D awareness”.
Multi-target and multiple modes of action can be executed in parallel.
Each campaign has an unique generative model enabling full ownership of IP by the partner.

Open for business for multi-target campaigns.

Figure 1: Distribution of the affinity_score for the top 1 000 molecules generated across 34 independent targets and training runs in parallel.

Figure 2: Example of the evolution of the distribution showing that during training the models improve both in productivity and the quality of its top outputs.