![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...Are alkaline spices the future of antibiotics?
The authors experimented with several commonly available alkaline spices (turmeric, cayenne pepper, and cinnamon) to study their antimicrobial properties, hypothesizing that alkaline spices would have antimicrobial activity. Results showed a zone of inhibition of bacterial growth, with the largest zone of inhibition being around turmeric, followed by cayenne pepper, and the smallest around cinnamon. These results are impactful, as common alkaline spices generally do show antibacterial properties and both bacteriostatic and bactericidal effects correlated with degree of alkalinity.
Read More...Investigation of Bunsen-type Premixed Flame Response to Acoustic Excitation: Temperature and Flame Profile
Here, authors characterize how different acoustics affect the properties of a Bunsen-type flame.
Read More...A computational quantum chemical study of fluorinated Allopurinol
In this study, the impact of fluorination of heterocyclic drug Allopurinol on its stability and other chemical properties is investigated.
Read More...The Effect of Bead Shape and Texture on the Energy Loss Characteristics in a Rotating Capsule
Industrial process are designed to optimize speed, energy use and quality. Some steps involve the translation of product-filled barrels, how far and fast this happens depends on the properties of the product within. This article investigates such properties on a mini-scale, where the roll of bead size, texture and material on the distance travelled by a cylindrical capsule is investigated.
Read More...Extracellular vesicles derived from oxidatively stressed stromal cells promote cancer progression
This paper hypothesized that the tumor microenvironment mediates cancer’s response to oxidative stress by delivering extracellular vesicles to cancer cells. Breast and lung cancer cells were treated with EVs, reavealing that EVs extracted from oxidatively stressed adipocytes increased the cell proliferation of breast cancer cells. These findings present a novel way that the TME influences cancer progression.
Read More...Cell cytotoxicity and pro-apoptosis on MCF-7 cells using polyherbal formulation, MAT20
The purpose of this study was to test the anti-cancer properties and pro-apoptotic effects of the polyherbal formulation MAT20 as a complementary treatment. Moringa oleifera (Moringa), Phyllanthus emblica (Amla) and Ocimum sanctum (Tulsi), these 3 herbs were used to formulate MAT20, which contain phytochemicals that are known to display anti-cancer properties. In this study, we hypothesized that MCF-7 breast cancer cells treated with MAT20 would show increased cytotoxicity compared to its individual plant extracts.
Read More...A novel deep learning model for visibility correction of environmental factors in autonomous vehicles
Intelligent vehicles utilize a combination of video-enabled object detection and radar data to traverse safely through surrounding environments. However, since the most momentary missteps in these systems can cause devastating collisions, the margin of error in the software for these systems is small. In this paper, we hypothesized that a novel object detection system that improves detection accuracy and speed of detection during adverse weather conditions would outperform industry alternatives in an average comparison.
Read More...Breaking the Ice: A Scientific Take on the Ice Melting Abilities of Household Salts
The use of salt to melt ice is a common and important practice to keep roadways safe during winter months. However, various subtypes of salt differ in their chemical and physical properties, as well as their environmental impact. In this study, the authors measure the effectiveness of different salts at disrupting ice structures and identify calcium chloride as the most effective.
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...Search articles by title, author name, or tags