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 use existing mathematical models to how high school athletes pace 800 m, 1600 m, and 3200 m distance track events compared to elite athletes.

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.

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.

Using facial recognition as a use-case scenario, we attempt to identify sources of bias in a model developed using transfer learning. To achieve this task, we developed a model based on a pre-trained facial recognition model, and scrutinized the accuracy of the model’s image classification against factors such as age, gender, and race to observe whether or not the model performed better on some demographic groups than others. By identifying the bias and finding potential sources of bias, his work contributes a unique technical perspective from the view of a small scale developer to emerging discussions of accountability and transparency in AI.

Since the discovery that thousands of different bacteria colonize our gut, many of which are important for human wellbeing, understanding the significance of balancing the different species on the human body has been intensely researched. Untangling the complexity of the gut microbiome and establishing the effect of the various strains on human health is a challenge in many circumstances, and the need for simpler systems to improve our basic understanding of microbe-host interactions seems necessary. C. elegans are a well-established laboratory animal that feed on bacteria and can thus serve as a less complex system for studying microbe-host interactions. Here the authors investigate how the choice of bacterial diet affects worm fertility. The same approach could be applied to many different outcomes, and facilitate our understanding of how the microbes colonizing our guts affect various bodily functions.

The consumption of sugar substitute non-nutritive sweeteners (NNS) has dramatically increased in recent years. Despite being advertised as a healthy alternative, NNS have been linked to adverse effects on the body, such as neurodegenerative diseases (NDs). In NDs, neural stem cell function is impaired, which inhibits neuron regeneration. The purpose of this study was to determine if the NNS acesulfame potassium (Ace-K) and neotame affect planaria neuron regeneration rates. Since human neurons may regenerate, planaria, organisms with extensive regenerative capabilities due to stem cells called neoblasts, were used as the model organism. The heads of planaria exposed to either a control or non-toxic concentrations of NNS were amputated. The posterior regions of the planaria were observed every 24 hours to see the following regeneration stages: (1) wound healing, (2) blastema development, (3) growth, and (4) differentiation. The authors hypothesized that exposure to the NNS would slow planaria regeneration rates. The time it took for the planaria in the Ace-K group and the neotame group to reach the second, third, and fourth regeneration stage was significantly greater than that of the control. The results of this study indicated that exposure to the NNS significantly slowed regeneration rates in planaria. This suggests that the NNS may adversely impact neoblast proliferation rates in planaria, implying that it could impair neural stem cell proliferation in humans, which plays a role in NDs. This study may provide insight into the connection between NNS, human neuron regeneration, and NDs.

In this study, the authors use bioinformatic approaches to characterize the mirror neurons, which are active when performing and seeing certain actions. They also investigated whether mirror neuron impairment was connected to neural degenerative diseases and psychiatric disorders.

Cellular senescence plays a key role in aging cells and is attributed to a number of disease and pathology. These authors find that genetic editing of both RPS6KB1 and PPARGC1A revitalizes a human skin fibroblast cell line.

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.