![Evaluating the feasibility of SMILES-based autoencoders for drug discovery](/rails/active_storage/representations/proxy/eyJfcmFpbHMiOnsibWVzc2FnZSI6IkJBaHBBaWtPIiwiZXhwIjpudWxsLCJwdXIiOiJibG9iX2lkIn19--f201e97491c0e9983dadf4939981766ea1281a19/eyJfcmFpbHMiOnsibWVzc2FnZSI6IkJBaDdCem9MWm05eWJXRjBTU0lJY0c1bkJqb0dSVlE2QzNKbGMybDZaVWtpRFRZd01IZzJNREErQmpzR1ZBPT0iLCJleHAiOm51bGwsInB1ciI6InZhcmlhdGlvbiJ9fQ==--33b2b080106a274a4ca568f8742d366d42f20c14/feature.png)
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...Collaboration beats heterogeneity: Improving federated learning-based waste classification
Based on the success of deep learning, recent works have attempted to develop a waste classification model using deep neural networks. This work presents federated learning (FL) for a solution, as it allows participants to aid in training the model using their own data. Results showed that with less clients, having a higher participation ratio resulted in less accuracy degradation by the data heterogeneity.
Read More...Assessing and Improving Machine Learning Model Predictions of Polymer Glass Transition Temperatures
In this study, the authors test whether providing a larger dataset of glass transition temperatures (Tg) to train the machine-learning platform Polymer Genome would improve its accuracy. Polymer Genome is a machine learning based data-driven informatics platform for polymer property prediction and Tg is one property needed to design new polymers in silico. They found that training the model with their larger, curated dataset improved the algorithm's Tg, providing valuable improvements to this useful platform.
Read More...Evaluating machine learning algorithms to classify forest tree species through satellite imagery
Here, seeking to identify an optimal method to classify tree species through remote sensing, the authors used a few machine learning algorithms to classify forest tree species through multispectral satellite imagery. They found the Random Forest algorithm to most accurately classify tree species, with the potential to improve model training and inference based on the inclusion of other tree properties.
Read More...The Effects of Knowledge, Lack of Knowledge, and Deception on Rate of Perceived Exertion and Performance During Workouts
In this study, the authors examine how knowledge, lack of knowledge, and deception affect the rate of perceived exertion and actual performance of teenagers in sprint training. Their results suggest that fully informing athletes about workout duration yields the fastest and most consistent speeds.
Read More...The effect of joint angle differences on blade velocity in elite and novice saber fencers: A kinematic study
Here, recognizing that years of training in saber fencing could expectedly result in optimized movements that result in elite skill levels, the authors used motion tracking and statistical analysis to assess the difference in velocity and blade tip velocity of novice and elite fencers during a vertical blade thrust. They found statistically significant differences in blade tip velocity and elbow joint angle kinematics.
Read More...Quantitative analysis and development of alopecia areata classification frameworks
This article discusses Alopecia areata, an autoimmune disorder causing sudden hair loss due to the immune system mistakenly attacking hair follicles. The article introduces the use of deep learning (DL) techniques, particularly convolutional neural networks (CNN), for classifying images of healthy and alopecia-affected hair. The study presents a comparative analysis of newly optimized CNN models with existing ones, trained on datasets containing images of healthy and alopecia-affected hair. The Inception-Resnet-v2 model emerged as the most effective for classifying Alopecia Areata.
Read More...Prediction of molecular energy using Coulomb matrix and Graph Neural Network
With molecular energy being an integral element to the study of molecules and molecular interactions, computational methods to determine molecular energy are used for the preservation of time and resources. However, these computational methods have high demand for computer resources, limiting their widespread feasibility. The authors of this study employed machine learning to address this disadvantage, utilizing neural networks trained on different representations of molecules to predict molecular properties without the requirement of computationally-intensive processing. In their findings, the authors determined the Feedforward Neural Network, trained by two separate models, as capable of predicting molecular energy with limited prediction error.
Read More...Open Source RNN designed for text generation is capable of composing music similar to Baroque composers
Recurrent neural networks (RNNs) are useful for text generation since they can generate outputs in the context of previous ones. Baroque music and language are similar, as every word or note exists in context with others, and they both follow strict rules. The authors hypothesized that if we represent music in a text format, an RNN designed to generate language could train on it and create music structurally similar to Bach’s. They found that the music generated by our RNN shared a similar structure with Bach’s music in the input dataset, while Bachbot’s outputs are significantly different from this experiment’s outputs and thus are less similar to Bach’s repertoire compared to our algorithm.
Read More...A machine learning approach to detect renal calculi by studying the physical characteristics of urine
The authors trained a machine learning model to detect kidney stones based on characteristics of urine. This method would allow for detection of kidney stones prior to the onset of noticeable symptoms by the patient.
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