Edited by Willem Jespers & Gerard van Westen
The 12th International Conference on Chemical Structures (ICCS 2022) took place on June 12-16, 2022. After a COVID-19 delay of one year, the 2022 event offered a strong scientific program covering all aspects of cheminformatics, molecular modeling and computer-aided drug design. For this international event, the organizers sought oral and poster presentations of novel research and emerging technologies for the plenary sessions on the topics Cheminformatics Approaches, Structure-Activity and Structure-Property Prediction, Structure-Based Approaches, Artificial Intelligence Approaches, Analysis of Large Chemical Data Sets, and Dealing with Biological Complexity.
At the conference, the CSA Trust Mike Lynch Award was awarded to laureate Dr. Greg Landrum in recognition of his work on the development of RDKit and his fostering of the community around it, a transformative software resource for cheminformatics and machine learning.
Authors of oral and poster abstracts that were accepted at the conference were invited to submit a paper to this special collection.