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.

Ant colony optimization algorithms simulate ants moving from point to point on a graph and coordinate their actions, similar to ants laying down pheromones to strengthen a path as it is used more frequently. These ACO algorithms can be applied to the classic traveling salesman problem, which aims to determine the lowest-cost path through a given set of points on a graph. In this study, a novel multiple-colony system was developed that uses multiple simulated ant colonies to generate improved solutions to the traveling salesman problem.

In this study, the authors investigate just how effectively paper towels can absorb different types of liquid and whether changing the properties of the towel (such as folding it) affects absorbance. Using variables of either different liquid types or the folded state of the paper towels, they used thorough approaches to make some important and very useful conclusions about optimal ways to use paper towels. This has important implications as we as a society continue to use more and more paper towels.

Neural networks are used throughout modern society to solve many problems commonly thought of as impossible for computers. Fountain and Rasmus designed a convolutional neural network and ran it with varying levels of training to see if consistent, accurate, and precise changes or patterns could be observed. They found that training introduced and strengthened patterns in the weights and visualizations, the patterns observed may not be consistent between all neural networks.

The authors develop and test a machine learning algorithm for predicting diabetes diagnoses.

The authors looked at using genetic algorithms to look at the Indian labor market and what features might best explain any variation seen. They found that features such as economic growth and household consumption, among others, best explained variation.

Here, the authors sought to develop a new metric to evaluate the efficacy of baseball pitchers using machine learning models. They found that the frequency of balls, was the most predictive feature for their walks/hits allowed per inning (WHIP) metric. While their machine learning models did not identify a defining trait, such as high velocity, spin rate, or types of pitches, they found that consistently pitching within the strike zone resulted in significantly lower WHIPs.

The authors examine a relationship between tweet sentiment and stock market behavior during the early weeks of the COVID-19 pandemic.

In this article, the authors looked at developing a strategy that would allow for earlier diagnosis of Diabetes as that improves long-term outcomes. They were able to find that BMI, tricep skin fold thickness, and blood pressure are the risk factors with the highest accuracy in predicting diabetes risk.

The authors look at using publicly available data and machine learning to see if they can develop a criminal activity index for counties within the state of California.