Artificial Intelligence in Chemistry


For centuries Chemistry has been an intriguing challenge for humans trying to understand questions regarding molecules forming and changing the bonding between their atoms. Chemistry has profound applications in many important industries like pharmaceuticals, food & nutrition, and materials. A majority of research tasks to discover new molecules and improve the synthesis of existing products is still performed manually by human scientists that have to learn their skills over many decades to reach expert levels. Recently, there have been multiple attempts to employ Artificial Intelligence technologies, particularly Machine Learning, to solve search and property prediction related problems in chemistry. These early attempts are promising a future where Artificial Intelligence will be regularly used to support and augment the skills of human scientists to facilitate their work and accelerate critical discoveries.

Submissions at the intersections of diverse fields like Artificial Intelligence, Robotics and Chemistry are invited and examples of interest may include:

(1) Prediction of physical, chemical, or biological properties
(2) Design and discovery of new materials/drugs
(3) Chemical synthesis planning
(4) Molecular dynamic simulations
(5) Extraction of useful information from documents about chemical sciences
(6) Quantum chemistry
(7) Combinatorial chemistry

We encourage researchers to submit technical papers that report their substantial, original research, survey papers that review existing approaches of using Artificial Intelligence to tackle problems in Chemistry, and position papers that discuss new concepts and ideas related to Artificial Intelligence and Chemistry.