Sapio’s ELaiN integrates trusted scientific applications for enhanced research workflow
Sapio Sciences announced the availability of trusted, third-party scientific applications and platforms now integrated directly into Sapio ELaiN, its third-generation AI lab notebook.
This growing ecosystem enables Sapio ELaiN’s co-scientist capabilities by bringing specialist informatics methods, research data and domain-specific scientific applications and platforms into the scientific workflow. Scientists can apply the trusted scientific applications and platforms they already rely on and have validated, without switching systems or duplicating effort, keeping analysis, reasoning and results within a single experimental record.
With Sapio ELaiN, scientists describe in natural language what they want to do, and ELaiN helps design and drive the workflow, coordinating access to integrated partner scientific applications, platforms and models when needed. These capabilities execute the underlying methods and return results directly into the experiment record, while the scientist remains in control of the overall research direction.
At launch, integrations and collaborations include:
- AI infrastructure and foundation models
- Molecular modeling and structure-based design
- Cadence Molecular Sciences (OpenEye): Cadence Molecular Sciences (OpenEye) extends ELaiN with cheminformatics, molecular modeling and cloud-based discovery tools that help scientists drive ligand and structure-based research from within the notebook.
- CCDC (Cambridge Crystallographic Data Centre): CCDC supports structure‑based design within ELaiN through the integration of GOLD, its trusted protein–ligand docking software. CCDC also curates and safeguards the Cambridge Structural Database (CSD).
- Optibrium: Optibrium integrates the predictive modeling capabilities of their StarDrop discovery platform into ELaiN, enabling scientists to optimize compounds and visualize multi-parameter data in the context of their experiments.
- Schrödinger: Schrödinger’s physics-based modeling and molecular simulation tools are available via ELaiN so researchers can apply structure-guided design methods within their existing workflow.
- Simulations Plus: Simulations Plus, a provider of AI powered predictive modeling and ADMET tools, enables in silico compound evaluation and drug metabolism assessment directly from ELaiN-driven workflows.
- Scientific knowledge, chemistry, and semantic discovery
- Elsevier: Elsevier, a global leader in advanced information and decision support, integrates predictive retrosynthesis, semantic enrichment and ontology-driven discovery into ELaiN. This enables scientists to uncover critical insights, accelerate synthesis planning, and assess synthetic accessibility with greater confidence.
- Biological insight and predictive analytics
- MedBioInformatics (DISGENET): MedBioInformatics, through DISGENET, brings disease genomics and phenotype association data into ELaiN, supporting target discovery and disease association studies alongside experimental records.
Sapio ELaiN applies the same security, auditability and data governance controls that underpin Sapio’s validated LIMS and lab informatics platform. All interactions with partner scientific applications, platforms and models run inside the customer’s secure environment, and ELaiN only accesses tools that the laboratory is already licensed to use.
