Enumeration of de novo inorganic complexes for chemical discovery and machine learning

Abstract

Enumerated, de novo transition metal complexes have unique spin state properties and accelerate machine learning model training.

Document Details

Document Type
Pub Defense Publication
Publication Date
Jan 01, 2020
Source ID
10.1039/c9me00069k

Entities

People

  • Heather J. Kulik
  • Jon Paul Janet
  • Stefan Gugler

Organizations

  • American Association for the Advancement of Science
  • Burroughs Wellcome Fund
  • Massachusetts Institute of Technology
  • Office of Naval Research Global
  • United States Army
  • University of Cambridge

Tags

Readers

  • Neural Network Machine Learning.
  • Oncology (Cancer Research).
  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.

Technology Areas

  • AI & ML
  • AI & ML - Neural Networks