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Here, the authors investigated the integration of large language models (LLMs) with drug target affinity predictors (DTAPs) to improve drug repurposing, demonstrating a significant increase in prediction accuracy, particularly with GPT-4, for psychotropic drugs and the sigma-1 receptor. This novel approach offers to potentially accelerate and reduce the cost of drug discovery by efficiently identifying new therapeutic uses for existing drugs.

Current drug discovery processes can cost billions of dollars and usually take five to ten years. People have been researching and implementing various computational approaches to search for molecules and compounds from the chemical space, which can be on the order of 1060 molecules. One solution involves deep generative models, which are artificial intelligence models that learn from nonlinear data by modeling the probability distribution of chemical structures and creating similar data points from the trends it identifies. Aiming for faster runtime and greater robustness when analyzing high-dimensional data, we designed and implemented a Hybrid Quantum-Classical Generative Adversarial Network (QGAN) to synthesize molecules.

Smartphones are not only becoming an inseparable part of our daily lives, but also a low-cost, powerful optical imaging tool for more and more scientific research applications. In this work, smartphones were used as a low-cost, high-speed, photographic alternative to expensive equipment, such as those typically found in scientific research labs, to accurately perform motion tracking and analysis of fast-moving objects. By analyzing consecutive images, the speed and flight trajectory of water droplets in the air were obtained, thereby enabling us to estimate the area of the water droplets landing on the ground.

The purpose of this study was to test devices installed on a gabled roof to see which reduced the actual uplift forces best. Three gabled birdhouse roofs were each modified with different mitigation devices: a rounded edge, a barrier shape, or an airfoil. The barrier edge had no significant effect on the time for the roof to blow off. The addition of airfoil devices on roofs, specifically in areas that are prone to hurricanes such as Florida, could keep roofs in place during hurricanes, thus reducing insurance bills, overall damage costs, and the loss of lives.

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.

In this study, the authors engineer a cost-effective and bio-friendly water purification system using limestone, denitrifying bacteria, and sulfate-reducing bacteria. They evaluated its efficacy with samples from Eastern PA industrial sites.

Reducing paint drying time is an important step in improving production efficiency and reducing costs. The authors hypothesized that decreased humidity would lead to faster drying, ultraviolet (UV) light exposure would not affect the paint colors differently, white light exposure would allow for longer wavelength colors to dry at a faster rate than shorter wavelength colors, and substrates with higher roughness would dry slower. Experiments showed that trials under high humidity dried slightly faster than trials under low humidity, contrary to the hypothesis. Overall, the paint drying process is very much dependent on its surrounding environment, and optimizing the drying process requires a thorough understanding of the environmental factors and their interactive effects with the paint constituents.

Additive manufacturing (AM) is transforming the production of complex metal parts, but challenges like internal cracking can arise, particularly in critical sectors such as aerospace and automotive. Traditional methods to assess cracking susceptibility are costly and time-consuming, prompting the use of machine learning (ML) for more efficient predictions. This study developed a multi-model ML pipeline that predicts solidification cracking susceptibility (SCS) more accurately by considering secondary alloy properties alongside composition, with Random Forest models showing the best performance, highlighting a promising direction for future research into SCS quantification.

Zebra mussels are an aquatic invasive species. They attach to essential industrial structures and harm the native ecosystem, costing millions of dollars each year to control. This study explored the effectiveness of two nontoxic materials (Sharklet & Netminder) in combating zebra mussel attachment.

Polylactic acid (PLA) is a bio-based, compostable plastic that is comparable in cost to petroleum-based plastics. This study aims to evaluate the effects of UV treatment and mechanical chopping on the degradation of PLA. Based on their findings, the authors propose an alternative PLA degradation process that may be more time and energy efficient than current processes.