Dear colleagues, this is Minkyu Park from Virtual Lab. 

I delight to announce that have interesting webinar with Prof. Connor W. Coley from MIT on Materials Square. 

Please feel free to join & discuss more details!

The identification and synthesis of molecules that exhibit a desired function is an essential part of addressing contemporary problems in science and technology. Small molecules are the predominant solution to challenges in the development of medicines, chemical probes, specialty polymers, and organocatalysts, among others. The typical discovery paradigm is an iterative process of designing candidate compounds, synthesizing those compounds, and testing their performance experimentally, where each repeat of this cycle can require weeks or months. There are a variety of techniques used for prioritizing experiments based on the predicted property profiles of molecules. We will talk about some of the complexities of molecular representation learning and the limitations of graph-based models.
We will also discuss a primary consideration of molecular design workflows: the chemical space that comprises the search space for a molecular screening/optimization campaign.