AIMC Topic: Biological Products

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Machine learning combines atomistic simulations to predict SARS-CoV-2 Mpro inhibitors from natural compounds.

Molecular diversity Feb 24, 2023
To date, the COVID-19 pandemic has still been infectious around the world, continuously causing social and economic damage on a global scale. One of the most important therapeutic targets for the treatment of COVID-19 is the main protease (Mpro) of S...
Antiviral Agents Protease Inhibitors Molecular Dynamics Simulation Humans Biological Products COVID-19 Drug Treatment Coronavirus 3C Proteases Machine Learning SARS-CoV-2 COVID-19 Molecular Docking Simulation
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Diversion Detection in Small-Diameter HDPE Pipes Using Guided Waves and Deep Learning.

Sensors (Basel, Switzerland) Dec 7, 2022
In this paper, we propose a novel technique for the inspection of high-density polyethylene (HDPE) pipes using ultrasonic sensors, signal processing, and deep neural networks (DNNs). Specifically, we propose a technique that detects whether there is ...
Biological Products Polyethylene Deep Learning Culture Neural Networks, Computer
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Machine-learning-based ground sink susceptibility evaluation using underground pipeline data in Korean urban area.

Scientific reports Dec 3, 2022
Ground subsidence caused by natural factors, including groundwater, has been extensively researched. However, there have been few studies on ground sink caused mainly by artifacts, including underground pipelines in urban areas. This paper proposes a...
Machine Learning Republic of Korea Humans Asian People Biological Products Area Under Curve Reproducibility of Results
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Artificial intelligence and machine learning applications in biopharmaceutical manufacturing.

Trends in biotechnology Sep 15, 2022
Artificial intelligence and machine learning (AI-ML) offer vast potential in optimal design, monitoring, and control of biopharmaceutical manufacturing. The driving forces for adoption of AI-ML techniques include the growing global demand for biother...
Machine Learning Algorithms Biological Products Neural Networks, Computer Artificial Intelligence
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Deep learning driven biosynthetic pathways navigation for natural products with BioNavi-NP.

Nature communications Jun 10, 2022
The complete biosynthetic pathways are unknown for most natural products (NPs), it is thus valuable to make computer-aided bio-retrosynthesis predictions. Here, a navigable and user-friendly toolkit, BioNavi-NP, is developed to predict the biosynthet...
Biosynthetic Pathways Neural Networks, Computer Algorithms Deep Learning Biological Products
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Data considerations for predictive modeling applied to the discovery of bioactive natural products.

Drug discovery today May 14, 2022
Natural products (NPs) constitute a large reserve of bioactive compounds useful for drug development. Recent advances in high-throughput technologies facilitate functional analysis of therapeutic effects and NP-based drug discovery. However, the larg...
Artificial Intelligence Drug Development Drug Discovery Biological Products
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Predicting biochemical and physiological effects of natural products from molecular structures using machine learning.

Natural product reports Nov 17, 2021
Covering: 2016 to 2021Discovery of novel natural products has been greatly facilitated by advances in genome sequencing, genome mining and analytical techniques. As a result, the volume of data for natural products has increased over the years, which...
Biological Products Molecular Structure Drug Interactions Machine Learning
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Artificial intelligence-guided discovery of anticancer lead compounds from plants and associated microorganisms.

Trends in cancer Nov 5, 2021
Plants and associated microorganisms are essential sources of natural products against human cancer diseases, partly exemplified by plant-derived anticancer drugs such as Taxol (paclitaxel). Natural products provide diverse mechanisms of action and c...
Biological Products Lead Machine Learning Humans Artificial Intelligence Drug Discovery
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NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products.

Journal of natural products Oct 18, 2021
Computational approaches such as genome and metabolome mining are becoming essential to natural products (NPs) research. Consequently, a need exists for an automated structure-type classification system to handle the massive amounts of data appearing...
Biological Products Neural Networks, Computer Biosynthetic Pathways
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Design of Biopharmaceutical Formulations Accelerated by Machine Learning.

Molecular pharmaceutics Sep 14, 2021
In addition to activity, successful biological drugs must exhibit a series of suitable developability properties, which depend on both protein sequence and buffer composition. In the context of this high-dimensional optimization problem, advanced alg...
Bayes Theorem Machine Learning Drug Compounding Drug Evaluation, Preclinical Humans Nanoparticle Drug Delivery System Biological Products
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