Irrespective of the final application of a molecule, synthetic accessibility is the rate-determining step in discovering and developing novel entities. However, synthetic complexity is challenging to quantify as a single metric, since it is a composite of several measurable metrics, some of which include cost, safety, and availability. Moreover, defining a single synthetic accessibility metric for both natural products and non-natural products poses yet another challenge given the structural distinctions between these two classes of compounds. Here, we propose a model for synthetic accessibility of all chemical compounds, inspired by the Central Limit Theorem, and devise a novel synthetic accessibility metric assessing the overall feasibility of making chemical compounds that has been fitted to a Gaussian distribution.

In this study the authors looked at developing a more efficient particle collision classification method with the goal of being able to more efficiently analyze particle trajectories from large-scale particle collisions without loss of accuracy.

Here, recognizing the recognizing the growing threat of non-biodegradable plastic waste, the authors investigated the ability to use a modified enzyme identified in bacteria to decompose polyethylene terephthalate (PET). They used simulations to screen and identify an optimized enzyme based on machine learning models. Ultimately, they identified a potential mutant PETases capable of decomposing PET with improved thermal stability.

Complications of robotic-assisted surgery are on the rise, partly due to surgeons not receiving proper training. Al-Akash and Al-Akash hypothesized Nintendo JoyCon controls would improve surgical performance compared to the FDA-approved Da Vinci Surgical System with two user groups (doctor and gamer). Their results show that implementing a Nintendo JoyCon control system is associated with improved surgical performance and learning rate compared to the Da Vinci Surgical System.

Metal-organic frameworks (MOFs) are promising new nanomaterials for use in the fight against climate change that can efficiently capture and convert CO₂ to other useful carbon products. This research used computational models to determine the reaction conditions under which MOFs can more efficiently capture and convert CO₂. In a cost-efficient manner, this analysis tested the hypothesis that pressure and temperature affect the efficacy of carbon capture and conversion, and contribute to understanding the optimal conditions for MOF performance to improve the use of MOFs for controlling greenhouse CO₂ emissions.

To best identify tuberculosis and pneumonia diagnoses in chest x-rays, the authors compare different deep learning convolution neural networks.

In this study, the authors studied the ability for bacteria to develop antibiotic resistance over successive generations and modeled the trajectory to predict how antibiotic resistance is developed.

Long hospital stays can be stressful for the patient for many reasons. We hypothesized that age would be the greatest predictor of hospital stay among patients who underwent orthopedic surgery. Through our models, we found that severity of illness was indeed the highest factor that contributed to determining patient length of stay. The other two factors that followed were the facility that the patient was staying in and the type of procedure that they underwent.

In the battle against Alzheimer's disease, early detection is critical to mitigating symptoms in patients. Here, the authors use a collection of MRI scans, layering with deep learning computer modeling, to investigate early stages of AD which can be hard to catch by human eye. Their model is successful, able to outperform previous models, and detected regions of interest in the brain for further consideration.

Caffeine is widely consumed across the globe and is most appreciated for its effects as a stimulant. Here the authors investigate whether caffeine consumption affects performance during endurance or strength training. Their results suggest that caffeine consumption enhances endurance training, but not strength training.