![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...Toxicity of aminomethylphosphonic acid via the Wnt signaling pathway as a novel mechanism
The Wnt signaling pathway, known to coordinate important aspects of cellular homeostasis ranging from differentiation, proliferation, migration, and much more, is dysregulated in many human diseases. This study demonstrates that aminomethylphosphonic acid, which is the main metabolite found in the common herbicide Glyphosate, is toxic to planaria and capable of binding to canonical Wnt proteins.
Read More...Disruptions in protein-protein interactions between HTT, PRPF40B, and MECP2 are involved in Lopes-Maciel-Rodan syndrome
In an extensive study of gene mutations, and their resulting effect on protein-protein interactions, Desai and Stork found that HTT-PRPF40B-MECP2 interactions are weakened with progression of Lopes-Maciel-Rodan syndrome.
Read More...Comparison of Perception of 2020 Election Security Threats Between Young and Old Voters
In this study, results from an extensive survey report college students' and senior citizens' voting concerns during the 2020 presidential election.
Read More...The Effect of Caffeine on the Regeneration of Brown Planaria (Dugesia tigrina)
The degeneration of nerve cells in the brain can lead to pathologies such as Parkinson’s disease. It has been suggested that neurons in humans may regenerate. In this study, the effect of different doses of caffeine on regeneration was explored in the planeria model. Caffeine has been shown to enhance dopamine production, and dopamine is found in high concentrations in regenerating planeria tissues. Higher doses of caffeine accelerated planeria regeneration following decapitation, indicating a potential role for caffeine as a treatment to stimulate regeneration.
Read More...Upregulation of the Ribosomal Pathway as a Potential Blood-Based Genetic Biomarker for Comorbid Major Depressive Disorder (MDD) and PTSD
Major Depressive Disorder (MDD), and Post-Traumatic Stress Disorder (PTSD) are two of the fastest growing comorbid diseases in the world. Using publicly available datasets from the National Institute for Biotechnology Information (NCBI), Ravi and Lee conducted a differential gene expression analysis using 184 blood samples from either control individuals or individuals with comorbid MDD and PTSD. As a result, the authors identified 253 highly differentially-expressed genes, with enrichment for proteins in the gene ontology group 'Ribosomal Pathway'. These genes may be used as blood-based biomarkers for susceptibility to MDD or PTSD, and to tailor treatments within a personalized medicine regime.
Read More...Dispersing Agents Prevent Negative Impact of Oil on Uptake of Zinc by Duckweed (Lemna minor)
Duckweed plays an important role in its aquatic environment by removing pollutants, such as zinc, from the water. In this study, the authors demonstrate that uptake of zinc by duckweed is inhibited by the presence of oil in the water, but this effect can be reversed with the addition of a dispersing agent.
Read More...Applying centrality analysis on a protein interaction network to predict colorectal cancer driver genes
In this article the authors created an interaction map of proteins involved in colorectal cancer to look for driver vs. non-driver genes. That is they wanted to see if they could determine what genes are more likely to drive the development and progression in colorectal cancer and which are present in altered states but not necessarily driving disease progression.
Read More...Managing CO2 levels through precipitation-based capture from seawater and electrochemical conversion
The authors set out to develop an electrochemical device that would have efficient and sustained carbon dioxide capture.
Read More...Differences in Reliability and Predictability of Harvested Energy from Battery-less Intermittently Powered Systems
Solar and radio frequency harvesters serve as a viable alternative energy source to batteries in many cases where the battery cannot be easily replaced. Using specifically designed circuit models, the authors quantify the reliability of different harvested energy sources to identify the most practical and efficient forms of renewable energy.
Read More...Search articles by title, author name, or tags