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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.

Overwatering and underwatering grass are widespread issues with environmental and financial consequences. This study developed an accessible method to assess grass water use efficiency (WUE) combining smartphone imaging with open access color unmixing analysis. The method can be applied in automated irrigation systems or apps, providing grass WUE assessment for regular consumer use.

The energy of an atom is extremely useful in nuclear physics and reaction mechanism pathway determination but is challenging to compute. This work aimed to synthesize regression models for Pople Gaussian expansions of Slater-type Orbitals (STO-nG) atomic energy vs. atomic number scatter plots to allow for easy approximation of atomic energies without using computational chemistry methods. The data indicated that of the regressions, sinusoidal regressions most aptly modeled the scatter plots.

In this paper, we measured the privacy budgets and utilities of different differentially private mechanisms combined with different machine learning models that forecast traffic congestion at future timestamps. We expected the ANNs combined with the Staircase mechanism to perform the best with every value in the privacy budget range, especially with the medium high values of the privacy budget. In this study, we used the Autoregressive Integrated Moving Average (ARIMA) and neural network models to forecast and then added differentially private Laplacian, Gaussian, and Staircase noise to our datasets. We tested two real traffic congestion datasets, experimented with the different models, and examined their utility for different privacy budgets. We found that a favorable combination for this application was neural networks with the Staircase mechanism. Our findings identify the optimal models when dealing with tricky time series forecasting and can be used in non-traffic applications like disease tracking and population growth.

Machine learning and deep learning techniques can be used to predict the early onset of breast cancer. The main objective of this analysis was to determine whether machine learning algorithms can be used to predict the onset of breast cancer with more than 90% accuracy. Based on research with supervised machine learning algorithms, Gaussian Naïve Bayes, K Nearest Algorithm, Random Forest, and Logistic Regression were considered because they offer a wide variety of classification methods and also provide high accuracy and performance. We hypothesized that all these algorithms would provide accurate results, and Random Forest and Logistic Regression would provide better accuracy and performance than Naïve Bayes and K Nearest Neighbor.

Zoos offer educational and scientific advantages but face high maintenance costs and challenges in animal care due to diverse species' habits. Challenges include tracking animals, detecting illnesses, and creating suitable habitats. We developed a deep learning framework called SmartZoo to address these issues and enable efficient animal monitoring, condition alerts, and data aggregation. We discovered that the data generated by our model is closer to real data than random data, and we were able to demonstrate that the model excels at generating data that resembles real-world data.

Alzheimer’s disease (AD) is a common disease affecting 6 million people in the U.S., but no cure exists. To create therapy for AD, it is critical to detect amyloid-β protein in the brain at the early stage of AD because the accumulation of amyloid-β over 20 years is believed to cause memory impairment. However, it is difficult to examine amyloid-β in patients’ brains. In this study, we hypothesized that we could accurately predict the presence of amyloid-β using EEG data and machine learning.