![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...Bacteria and Antibiotic Resistance in School Bathrooms
Since school bathrooms are widely suspected to be unsanitary, we wanted to compare the total amount of bacteria with the amount of bacteria that had ampicillin or streptomycin resistance across different school bathrooms in the Boston area. We hypothesized that because people interact with the faucet, outdoor handle, and indoor handle of the bathroom, based on whether or not they have washed their hands, there would be differences in the quantity of the bacteria presented on these surfaces. Therefore, we predicted certain surfaces of the bathroom would be less sanitary than others.
Read More...Varying levels of disinfectant resistance among invasive Klebsiella pneumoniae isolates
The authors identify disinfectant-resistant bacterial strains of infection-causing bacteria from samples collected at a hospital setting.
Read More...Wind Resistance and Automobile Shapes
Energy efficiency is becoming more important as we struggle to find better, more sustainable energy sources to power our planet; the car industry is no exception. In this article, the authors examine the effect of shape on automobile aerodynamics By finding the shape that makes cars less resistant to wind, and therefore more energy efficient, can help the automobile industry make better, more eco-friendly cars that are also cheaper to operate.
Read More...An accessible experiment to assess the impact of shapes of buildings and roofs on wind resistance
In this study, the authors determine which house model is most resistant to high winds by building smaller prototypes that could be tested with a handheld source of wind.
Read More...Association of agenesis of the corpus callosum with epilepsy and anticonvulsant drug treatment
Agenesis of the Corpus Callosum (ACC) is a birth defect where an infant’s corpus callosum, the structure linking the brain’s two hemispheres to allow interhemispheric communication, fails to develop in a typical manner during pregnancy. Existing research on the connection between ACC and epilepsy leaves significant gaps, due to the lack of focused investigation. One important gap is the degree to which ACC may impact the course of epilepsy treatment and outcomes. The present study was conducted to test the hypotheses that epilepsy is highly prevalent among individuals with ACC, and that those with both ACC and epilepsy have a lower response rate to anticonvulsant drugs than other patients treated with anticonvulsant drugs. A weighted average of epilepsy rates was calculated from a review of existing literature, which supported the hypothesis that epilepsy was more common among individuals with ACC (25.11%) than in the general population (1.2%). An empirical survey administered to 57 subjects or parents of subjects showed that rate of intractable epilepsy among study subjects with both ACC and epilepsy was substantially higher than the rate found in the general population, indicating that individuals with both conditions had a lower response rate to the anticonvulsant drugs. This study contributes novel results regarding the potential for concurrence of ACC and epilepsy to interfere with anticonvulsant drug treatment. We also discuss implications for how medical professionals may use the findings of this study to add depth to their treatment decisions.
Read More...Fitness social media is positively associated with the use of performance-enhancing drugs among young men
Here the authors investigated the relationship between fitness-related social media and the high usage of performance-enhancing drugs (PEDs) specifically by men in the US age 18-35. In a survey with 149 participants they identified that young men that use fitness-related social media are more likely to use PEDs. Their results suggest the necessity to consider potential risk behaviors which may be related to social media consumption.
Read More...Assessing CDK5 as a Nanomotor for Chemotactic Drug Delivery
Enzyme chemotaxis is a thermodynamic phenomenon in which enzymes move along a substrate concentration gradient towards regions with higher substrate concentrations and can be used to steer nanovehicles towards targets along natural substrate concentrations. In patients with Alzheimer’s disease, a gradient of tau protein forms in the bloodstream. Tau protein is a substrate of the enzyme CDK5, which catalyzes the phosphorylation of tau protein and can travel using chemotaxis along tau protein gradients to increasing concentrations of tau and amyloid-beta proteins. The authors hypothesized that CDK5 would be able to overcome these barriers of Brownian motion and developed a quantitative model using Michaelis-Menten kinetics to define the necessary parameters to confirm and characterize CDK5’s chemotactic behavior to establish its utility in drug delivery and other applications.
Read More...The Impact of Antibiotic Exposure and Concentration on Resistance in Bacteria
Antibiotics are used to treat dangerous diseases. Over time, however, bacteria are becoming resistant to antibiotics - which poses a threat to humans and animals alike. In this paper, the authors examine how E. coli gains resistance to the antibiotic amoxicillin.
Read More...Pancreatic Adenocarcinoma: An Analysis of Drug Therapy Options through Interaction Maps and Graph Theory
Cancer is often caused by improper function of a few proteins, and sometimes it takes only a few proteins to malfunction to cause drastic changes in cells. Here the authors look at the genes that were mutated in patients with a type of pancreatic cancer to identify proteins that are important in causing cancer. They also determined which proteins currently lack effective treatment, and suggest that certain proteins (named KRAS, CDKN2A, and RBBP8) are the most important candidates for developing drugs to treat pancreatic cancer.
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