Integrate AI into CDD Vault without alienating customers

Integrate AI into CDD Vault without alienating customers

Wednesday, October 9, 2024 2:50 PM to 3:10 PM · 20 min. (Europe/Brussels)
Cheminformatics
Presentation
Theatre 2

Information

  • Generative models as a de-novo design tool can become problematic if ideas get too extreme, leading to loss of trust; integration should balance creativity and control.
  • Overview of the CDD deep learning model's architecture, training, validation (latent space characterization, transformations, QSAR)
  • Integrating the model into the main product should focus on supporting scientists' work, offering fast similarity search, bioisosteric suggestions, and optional API access for advanced users.
Collaborative Drug Discovery Inc1120Collaborative Drug Discovery (CDD) provides an intuitive software suite extensively used by creative biologists and chemists working in academic, biotechnology and pharmaceutical settings. Their flagship product, CDD Vault, enables researchers to intuitively organize and analyze both biological and chemical data, and to collaborate with partners through a straightforward web interface. CDD helps scientists register entities, track inventory, manage assay data, capture experiments, calculate Structure-Activity Relationships (SAR), and mine their data for drug candidates.

Registered attendees

Becky Upton
Becky Upton
PresidentPistoia Alliance
Dimitris Tsionos
Dimitris Tsionos
Senior Scientific Account ManagerCollaborative Drug Discovery Inc
Imke Mayer
Imke Mayer
Research ScientistOWKIN

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