AI Medical Compendium Journal:
Combinatorial chemistry & high throughput screening

Showing 41 to 50 of 68 articles

Supervised Machine Learning Algorithms for Evaluation of Solid Lipid Nanoparticles and Particle Size.

Combinatorial chemistry & high throughput screening Jan 1, 2018
AIMS AND OBJECTIVES: Solid Lipid Nanoparticles (SLNs) are pharmaceutical delivery systems that have advantages such as controlled drug release, long-term stability etc. Particle Size (PS) is one of the important criteria of SLNs. These factors affect...
Triglycerides Polysorbates Lipids Supervised Machine Learning Nanoparticles Algorithms Particle Size
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An Approach of Anomaly Detection and Neural Network Classifiers to Measure Cellulolytic Activity.

Combinatorial chemistry & high throughput screening Jan 1, 2018
AIM AND OBJECTIVE: A common method used for massive detection of cellulolytic microorganisms is based on the formation of halos on solid medium. However, this is a subjective method and real-time monitoring is not possible. The objective of this work...
Cellulose Models, Molecular Color Congo Red Neural Networks, Computer Machine Learning Pattern Recognition, Automated Gene Library Coloring Agents Hydrolysis
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In silico Prediction of Inhibitory Constant of Thrombin Inhibitors Using Machine Learning.

Combinatorial chemistry & high throughput screening Jan 1, 2018
BACKGROUND: Thrombin is the central protease of the vertebrate blood coagulation cascade, which is closely related to cardiovascular diseases. The inhibitory constant Ki is the most significant property of thrombin inhibitors.
Humans Computer Simulation Drug Discovery Machine Learning Quantitative Structure-Activity Relationship Thermodynamics Thrombin Models, Molecular Molecular Structure Support Vector Machine Linear Models Anticoagulants
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A Network Integration Method for Deciphering the Types of Metabolic Pathway of Chemicals with Heterogeneous Information.

Combinatorial chemistry & high throughput screening Jan 1, 2018
AIM AND OBJECTIVE: A metabolic pathway is an important type of biological pathway, which is composed of a series of chemical reactions. It provides essential molecules and energies for living organisms. To date, several metabolic pathways have been u...
Molecular Structure Metabolic Networks and Pathways Models, Molecular Support Vector Machine Structure-Activity Relationship Organic Chemicals Computational Biology
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Predicting Inhibitors for Multidrug Resistance Associated Protein-2 Transporter by Machine Learning Approach.

Combinatorial chemistry & high throughput screening Jan 1, 2018
BACKGROUND: The efflux transporter multidrug resistance associated protein-2 belongs to ATP-binding cassette superfamily which plays an important role in multidrug resistance and drugdrug interactions. Efflux transporters are considered to be importa...
Databases, Pharmaceutical Multidrug Resistance-Associated Proteins Molecular Structure Quantitative Structure-Activity Relationship Multidrug Resistance-Associated Protein 2 Machine Learning Drug Discovery Support Vector Machine Algorithms
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Editorial: Breaking the Discovery Impasse (Part 2): Deep Learning New Tricks from Old Data.

Combinatorial chemistry & high throughput screening Jan 1, 2018
Data Analysis Animals Deep Learning Humans Databases as Topic
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Prediction of Nitrated Tyrosine Residues in Protein Sequences by Extreme Learning Machine and Feature Selection Methods.

Combinatorial chemistry & high throughput screening Jan 1, 2018
BACKGROUND: Accurately recognizing nitrated tyrosine residues from protein sequences would pave a way for understanding the mechanism of nitration and the screening of the tyrosine residues in sequences.
Databases, Protein Amino Acid Sequence Tyrosine Nitrates Computational Biology Protein Processing, Post-Translational Machine Learning
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Editorial: Breaking the Discovery Impasse (part 1): A Case for Deep Learning.

Combinatorial chemistry & high throughput screening Jan 1, 2018
Humans Drug Discovery Deep Learning
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Prediction of Drug-Plasma Protein Binding Using Artificial Intelligence Based Algorithms.

Combinatorial chemistry & high throughput screening Jan 1, 2018
AIM AND OBJECTIVE: Plasma protein binding (PPB) has vital importance in the characterization of drug distribution in the systemic circulation. Unfavorable PPB can pose a negative effect on clinical development of promising drug candidates. The drug d...
Humans Artificial Intelligence Algorithms Least-Squares Analysis Pharmaceutical Preparations Binding Sites Drug Design Blood Proteins
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Optimized Virtual Screening Workflow: Towards Target-Based Polynomial Scoring Functions for HIV-1 Protease.

Combinatorial chemistry & high throughput screening Jan 1, 2017
BACKGROUND: One key step in the development of inhibitors for an enzyme is the application of computational methodologies to predict protein-ligand interactions. The abundance of structural and ligand-binding information for HIV-1 protease opens up t...
HIV Protease HIV Protease Inhibitors Machine Learning Molecular Docking Simulation Drug Evaluation, Preclinical Ligands
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