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. CDD was founded in 2004 and presently serves thousands of researchers doing drug discovery all around the world.   Learn more at www.collaborativedrug.com

Registered attendees

Anna Gaglianese
Anna Gaglianese
Senior Data ScientistAC Immune SA
Becky Upton
Becky Upton
PresidentPistoia Alliance
Csaba Peltz
Csaba Peltz
Director of ChemistryChemaxon

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