Enumeration of de novo Inorganic Complexes for Chemical Discovery and Machine Learning

Published in chemRxiv, 2019

Recommended citation: Stefan Gugler, Jon Paul Janet, and Heather J. Kulik (2019). "Strategies and Software for Machine Learning Accelerated Discovery in Transition Metal Chemistry." chemRxiv. https://chemrxiv.org/articles/Enumeration_of_de_novo_Inorganic_Complexes_for_Chemical_Discovery_and_Machine_Learning/8279609