World’s Largest Protein-Ligand Complex and Binding Affinity Dataset for Data Driven Methods in Drug Design
Arun uncovers a collaborative, multi-phase research project involving Intel, AWS, Insilico Medicine and IIITH with the ultimate aim of creating the world’s largest protein-ligand complex and binding affinity dataset that significantly accelerates drug research and discovery timelines.
Are reaction data FAIR … and what can we do with that?
Gerd talks about how chemical reaction data needs to comply with FAIR principles in order to be reliable, reproductible, and be used for accurate AI/ML predictions. He addresses the specific challenges related to in-house chemical reaction data capturing and discuss what steps should be taken to make these databases more consistent for precise predictions.
Project team data visualization and decision support solutions - Core requirements and must-have features
John talks about the core requirements and must-have features of collaborative data visualization and decision support solutions in the DMTA cycle.