The authors investigate the ability of machine learning models to developing new drug-like molecules by learning desired chemical properties versus simply generating molecules that similar to those in the training set.
Read More...Evaluating the feasibility of SMILES-based autoencoders for drug discovery
The authors investigate the ability of machine learning models to developing new drug-like molecules by learning desired chemical properties versus simply generating molecules that similar to those in the training set.
Read More...Optimizing airfoil shape for small, low speed, unmanned gliders: A homemade investigation
Here, the authors sought to identify a method to optimize the lift generated by an airfoil based solely on its shape. By beginning with a Bernoullian model to predict an optimized wing shape, the authors then tested their model against other possible shapes by constructing them from Styrofoam and testing them in a small wind tunnel. Contrary to their hypothesis, they found their expected optimal airfoil shape did not result in the greatest lift generation. They attributed this to a variety of confounding variables and concluded that their results pointed to a correlation between airfoil shape and lift generation.
Read More...Testing HCN1 channel dysregulation in the prefrontal cortex using a novel piezoelectric silk neuromodulator
Although no comprehensive characterization of schizophrenia exists, there is a general consensus that patients have electrical dysfunction in the prefrontal cortex. The authors designed a novel piezoelectric silk-based implant and optimized electrical output through the addition of conductive materials zinc oxide (ZnO) and aluminum nitride (AlN). With further research and compatibility studies, this implant could rectify electrical misfiring in the infralimbic prefrontal cortex.
Read More...Understanding the Mechanism of Star-Block Copolymers as Nanoreactors for Synthesis of Well-Defined Silver Nanoparticles
Here, the authors characterize how silver ions nucleate a star-block copolymer to generate nano-sized silver particles.
Read More...Economic performance of solar energy systems financed with green bonds in New Jersey
Global reliance on extractive energy sources has many downsides, among which are inconsistent supply and consequent price volatility that distress companies and consumers. It is unclear if renewable energy offers stable and affordable solutions to extractive energy sources. The cost of solar energy generation has decreased sharply in recent years, prompting a surge of installations with a range of financing options. Even so, most existing options require upfront payment, making installation inaccessible for towns with limited financial resources. The primary objective of our research is to examine the use of green bonds to finance solar energy systems, as they eliminate the need for upfront capital and enable repayment through revenue generated over time. We hypothesized that if we modeled the usage of green bonds to finance the installation of a solar energy system in New Jersey, then the revenue generated over the system’s lifetime would be enough to repay the bond. After modeling the financial performance of a proposed solar energy-producing carport in Madison, New Jersey, financed with green bonds, we found that revenue from solar energy systems successfully covered the annual green bond payments and enabled the installers to obtain over 50% of the income for themselves. Our research demonstrated green bonds as a promising option for New Jersey towns with limited financial resources seeking to install solar energy systems, thereby breaking down a financial barrier.
Read More...Country-level relationship of OTC medicine consumption and frequency of GP consultation
The discussion surrounding self-medication with non-prescription medicines has gained significance in healthcare and public health, particularly given the global increase in consumption of non-prescription drugs. This study aimed to examine the association between the frequency of general practitioner (GP) consultations and the proportion of economic resources spent on OTC medicine.
Read More...Using text embedding models as text classifiers with medical data
This article describes the classification of medical text data using vector databases and text embedding. Various large language models were used to generate this medical data for the classification task.
Read More...Recognition of animal body parts via supervised learning
The application of machine learning techniques has facilitated the automatic annotation of behavior in video sequences, offering a promising approach for ethological studies by reducing the manual effort required for annotating each video frame. Nevertheless, before solely relying on machine-generated annotations, it is essential to evaluate the accuracy of these annotations to ensure their reliability and applicability. While it is conventionally accepted that there cannot be a perfect annotation, the degree of error associated with machine-generated annotations should be commensurate with the error between different human annotators. We hypothesized that machine learning supervised with adequate human annotations would be able to accurately predict body parts from video sequences. Here, we conducted a comparative analysis of the quality of annotations generated by humans and machines for the body parts of sheep during treadmill walking. For human annotation, two annotators manually labeled six body parts of sheep in 300 frames. To generate machine annotations, we employed the state-of-the-art pose-estimating library, DeepLabCut, which was trained using the frames annotated by human annotators. As expected, the human annotations demonstrated high consistency between annotators. Notably, the machine learning algorithm also generated accurate predictions, with errors comparable to those between humans. We also observed that abnormal annotations with a high error could be revised by introducing Kalman Filtering, which interpolates the trajectory of body parts over the time series, enhancing robustness. Our results suggest that conventional transfer learning methods can generate behavior annotations as accurate as those made by humans, presenting great potential for further research.
Read More...Error mitigation of quantum teleportation on IBM quantum computers
Quantum computers can perform computational tasks beyond the capability of classical computers, such as simulating quantum systems in materials science and chemistry. Quantum teleportation is the transfer of quantum information across distances, relying on entangled states generated by quantum computing. We sought to mitigate the error of quantum teleportation which was simulated on IBM cloud quantum computers.
Read More...Identifying Neural Networks that Implement a Simple Spatial Concept
Modern artificial neural networks have been remarkably successful in various applications, from speech recognition to computer vision. However, it remains less clear whether they can implement abstract concepts, which are essential to generalization and understanding. To address this problem, the authors investigated the above vs. below task, a simple concept-based task that honeybees can solve, using a conventional neural network. They found that networks achieved 100% test accuracy when a visual target was presented below a black bar, however only 50% test accuracy when a visual target was presented below a reference shape.
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