CDD Vault, an Integrated Informatics Platform

CDD Vault enables teams to consolidate and manage diverse data types - across departments and geographic locations - with ease. Its flexibility and user-friendly design make it particularly well-suited for fields such as protein sciences, where data often originates from multiple sources and comes in various formats. CDD Vault ensures secure data storage while empowering users to build databases aligned with FAIR data principles from the outset. The platform is also future-ready, offering structured data handling, AI capabilities, and an open API for seamless integration with other tools - enhancing both scalability and functionality.

CDD Vault functionalities include: 

1. ELN, with versioning control, Microsoft Office integration, and in-ELN inventory control

2. expanded curve fits/analytics to enable data analysis within the Vault, and a direct connection to a powerful Visualization module to generate insightful and publication-ready graphics

3. Inventory module to enable the tracking of registered materials

4. macromolecule editor capabilities spanning multiple entities, including compounds, peptides/proteins, ADCs, nucleic acids, and formulations/mixtures

5. API to connect various platforms and enable data flow

6. An AI module with the following capabilities:

   • Fast similarity search in ChEMBL, SureCHEMBL, CDD Public data and Enamine Screening collection

   • Bioisosteric suggestions to expand hits

   • QSAR/inverse QSAR - optimizing and navigating in latent space

   • New AI support chatbot integration

   • (integration with NVIDIA's AI tools) access to BioNeMo NIM for AlphaFold2, a deep learning model that accelerates protein structure determination, Boltz-2, and DiffDock, which predicts the 3D orientation and docking interactions of small molecules with proteins.