Browse Articles

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, with consideration for the increasing participation of high school students in indoor rowing, the authors analyzed World Indoor Rowing Championship data. Statistical analysis revealed two key features that can determine the performance of a rower as well as increasing competitiveness in nearly all categories considered. They conclude by offering a 2000-meter ergometer time distribution that can help junior rowers assess their current performance relative to the world competition.

Access to green space—an area of grass, trees, or other vegetation set apart for recreational or aesthetic purposes in an urban environment—and clean drinking water can be unequally distributed in urban spaces, which are often associated with income inequality. Little is known about public drinking water and green space inequities in the Bay Area. For our study, we sought to understand how public park access, drinking fountain access, and the quality of public drinking water differ across income brackets in the Bay Area. Though we observed smaller-scale instances of inequalities, in the park distribution in the Bay Area as a whole, and in the Southern Bay’s water quality and park distribution, our results indicate that other factors could be influencing water quality, and park and fountain access in the Bay Area.

The authors develop a machine learning method to reduce misclassification of objects in safety-critical applications such as medical diagnosis.

In this article, the authors use datasets of professional and youth soccer players' movements to map and statistically compare them. Analysis compared movements that led to goals or no-goals and differences between pros and youth.

The authors analyzed racial and ethnic representation in studies on PFAS and neurological health outcomes.

The authors looked the ability of sound sensors to predict clogged pipes when the sound intensity data is run through a machine learning algorithm.

The authors re-examine the galactic kinematics of relic galaxy NGC 1277, recently identified as dark matter deficient, by reproducing its rotation curve with data from the George and Cynthia Mitchell Spectrograph.

Lung cancer is highly fatal, largely due to late diagnoses, but early detection can greatly improve survival. This study developed three models to enhance early diagnosis: an MLP for clinical data, a CNN for imaging data, and a hybrid model combining both.

This study used an improved CMS-seq method to profile 5hmC in ormalin-fixed and paraffin-embedded (FFPE) samples from HNC tumors and adjacent normal tissues, identifying three genes (PRKD2, HADHA, and AIPL1) with promising potential as biomarkers for Head and neck cancer (HNC) diagnosis.