AIMC Topic: Biological Products

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Predicting Antimalarial Activity in Natural Products Using Pretrained Bidirectional Encoder Representations from Transformers.

Journal of chemical information and modeling Aug 16, 2021
Malaria is a threatening disease that has claimed many lives and has a high prevalence rate annually. Through the past decade, there have been many studies to uncover effective antimalarial compounds to combat this disease. Alongside chemically synth...
Support Vector Machine Machine Learning Biological Products Algorithms Antimalarials
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Machine learning models to select potential inhibitors of acetylcholinesterase activity from SistematX: a natural products database.

Molecular diversity Jun 16, 2021
Alzheimer's disease is the most common form of dementia, representing 60-70% of dementia cases. The enzyme acetylcholinesterase (AChE) cleaves the ester bonds in acetylcholine and plays an important role in the termination of acetylcholine activity a...
Structure-Activity Relationship Area Under Curve Models, Molecular Drug Discovery ROC Curve Humans Biological Products Machine Learning Cholinesterase Inhibitors Algorithms Cheminformatics Workflow Molecular Docking Simulation Databases, Pharmaceutical Molecular Dynamics Simulation Acetylcholinesterase
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Active Learning and the Potential of Neural Networks Accelerate Molecular Screening for the Design of a New Molecule Effective against SARS-CoV-2.

BioMed research international May 25, 2021
A global pandemic has emerged following the appearance of the new severe acute respiratory virus whose official name is the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), strongly affecting the health sector as well as the world econom...
Small Molecule Libraries Protein Structure, Secondary Protein Interaction Domains and Motifs Substrate Specificity Thermodynamics Protease Inhibitors Coronavirus 3C Proteases Protein Binding Biological Products Gene Expression Kinetics COVID-19 Drug Treatment Catalytic Domain Molecular Docking Simulation Drug Design Humans Antiviral Agents Neural Networks, Computer SARS-CoV-2
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Target Prediction Model for Natural Products Using Transfer Learning.

International journal of molecular sciences Apr 28, 2021
A large proportion of lead compounds are derived from natural products. However, most natural products have not been fully tested for their targets. To help resolve this problem, a model using transfer learning was built to predict targets for natura...
Biological Products Drug Discovery Deep Learning Molecular Targeted Therapy Models, Theoretical
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Machine Learning Methods to Predict the Terrestrial and Marine Origin of Natural Products.

Molecular informatics Mar 30, 2021
In recent years there has been a growing interest in studying the differences between the chemical and biological space represented by natural products (NPs) of terrestrial and marine origin. In order to learn more about these two chemical spaces, ma...
Machine Learning Biological Products
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Machine Learning for Biologics: Opportunities for Protein Engineering, Developability, and Formulation.

Trends in pharmacological sciences Jan 23, 2021
Successful biologics must satisfy multiple properties including activity and particular physicochemical features that are globally defined as developability. These multiple properties must be simultaneously optimized in a very broad design space of p...
Machine Learning Biological Products Proteins Humans Artificial Intelligence Protein Engineering
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Design of novel orotransmucosal vaccine-delivery platforms using artificial intelligence.

European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V Dec 28, 2020
The linings of the oral cavity are excellent needle-free vaccination sites, able to induce immune responses at distal sites and confer systemic protection. However, owing to the mucosal tissues' intrinsic characteristics, the design of effective anti...
Humans Neural Networks, Computer Drug Design Biological Products Microspheres Adhesiveness Mouth Mucosa Administration, Buccal Administration, Sublingual Hydrogels Drug Liberation Drug Compounding Drug Carriers Polymers THP-1 Cells
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Development challenges of high concentration monoclonal antibody formulations.

Drug discovery today. Technologies Nov 24, 2020
High concentration monoclonal antibody drug products represent a special segment of biopharmaceuticals. In contrast to other monoclonal antibody products, high concentration monoclonal antibodies are injected subcutaneously helping increase patient c...
Humans Biological Products Pharmaceutical Preparations Antibodies, Monoclonal Protein Stability
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Virtual Screening for Reactive Natural Products and Their Probable Artifacts of Solvolysis and Oxidation.

Biomolecules Oct 27, 2020
Chemically unstable natural products are prone to show their reactivity in the procedures of extraction, purification, or identification and turn into contaminants as so-called "artifacts". However, identification of artifacts requires considerable i...
Solubility Biological Products Oxidation-Reduction Drug Evaluation, Preclinical Deep Learning
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Computational planning of the synthesis of complex natural products.

Nature Oct 13, 2020
Training algorithms to computationally plan multistep organic syntheses has been a challenge for more than 50 years. However, the field has progressed greatly since the development of early programs such as LHASA, for which reaction choices at each s...
Chemistry, Organic Benzylisoquinolines Chemistry Techniques, Synthetic Tetrahydroisoquinolines Indole Alkaloids Macrolides Indans Artificial Intelligence Lactones Software Sesquiterpenes Automation Reproducibility of Results Biological Products Knowledge Bases
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