Case Studies

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Feb 8th, 2023
  • Blog
  • Case Studies
  • ConQuest
  • CSD
  • CSD-Materials
  • MOFs
  • Tools in Action

CSD in Action: Augmented Reality Visualization Brings Zr-Oxide MOFs for Gas Adsorption to Life Following Computational Characterization

Aug 15th, 2022
  • Blog
  • Case Studies

CSD in action: advancing Metal Organic Frameworks (MOFs) using Big Data and High Throughput Screening

Jul 26th, 2022
  • Blog
  • Case Studies

CSD in action: contributions of molecular design in drug discovery at Roche

Jun 20th, 2022
  • Blog
  • Case Studies

CSD in action: Merck & Co. Inc. Predicting the formation of drug solvent adducts by computational crystal structure prediction

May 24th, 2022
  • Blog
  • Case Studies
  • CSD Database
  • Machine Learning
  • Metal Organic Frameworks
  • MOFs
  • Tools in Action

CSD in action: training a machine learning model to predict MOF pore accessibility with 80% certainty

May 11th, 2022
  • Blog
  • Case Studies
  • CSD
  • Drug Discovery
  • Pharmaceutical Discovery
  • Pharmaceuticals
  • Tools in Action

CSD in action: Novartis. CSD-validated data helps discover compounds with 50% increase in potency for treatment of SMA

Jan 26th, 2022
  • Blog
  • Case Studies
  • CSD
  • CSD-Materials
  • Drug Development
  • Drug Discovery
  • Mercury
  • Molecular Complementarity Tool
  • Pharmaceutical Discovery
  • Pharmaceuticals
  • Tools in Action

CSD-Materials in Action: Molecular Complementarity component reduces required benchtop experiments by 24%

Dec 15th, 2021
  • Blog
  • Case Studies
  • Agriculture
  • Agrochemical
  • CSD
  • CSD-Core
  • CSD-Discovery
  • Docking
  • GOLD

GOLD in action: leveraging structure-based drug design methods to develop novel herbicides