AI Medical Compendium Topic

Explore the latest research on artificial intelligence and machine learning in medicine.

Structure-Activity Relationship

Showing 221 to 225 of 225 articles

Clear Filters

[Synthesis and biological evaluation of novel pleuromutilin derivatives with nitrogen-containing heterocycles as antibacterial agents].

Yao xue xue bao = Acta pharmaceutica Sinica Oct 1, 2015
A series of new pleuromutilins derivatives were designed and synthesized through coupling 2-aminothiazole ring of WL001 with different nitrogen-containing substituted heterocycles in the side chain. Their biological activities were evaluated against ...
Levofloxacin Amoxicillin Polycyclic Compounds Microbial Sensitivity Tests Gram-Negative Bacteria Diterpenes Nitrogen Structure-Activity Relationship Pleuromutilins Anti-Bacterial Agents
View on PubMed

Sequence based human leukocyte antigen gene prediction using informative physicochemical properties.

International journal of data mining and bioinformatics Jan 1, 2015
Prediction of different classes within the human leukocyte antigen (HLA) gene family can provide insight into the human immune system and its response to viral pathogens. Therefore, it is desirable to develop an efficient and easily interpretable met...
Leukocytes Data Mining Amino Acid Sequence Databases, Protein HLA-A Antigens Humans Support Vector Machine Structure-Activity Relationship Algorithms Pattern Recognition, Automated Sequence Analysis, Protein Molecular Sequence Data
View on PubMed DOI

A novel fractal approach for predicting G-protein-coupled receptors and their subfamilies with support vector machines.

Bio-medical materials and engineering Jan 1, 2015
G-protein-coupled receptors (GPCRs) are seven membrane-spanning proteins and regulate many important physiological processes, such as vision, neurotransmission, immune response and so on. GPCRs-related pathways are the targets of a large number of ma...
Sequence Analysis, Protein Fractals Sequence Alignment Data Mining Algorithms Structure-Activity Relationship Molecular Sequence Data Receptors, G-Protein-Coupled Pattern Recognition, Automated Amino Acid Sequence Databases, Protein Support Vector Machine
View on PubMed DOI

On the Origins of Hepatitis C Virus NS5B Polymerase Inhibitory Activity Using Machine Learning Approaches.

Current topics in medicinal chemistry Jan 1, 2015
Inhibition of non-structural protein 5B (NS5B) represents an attractive strategy for the therapeutic treatment of hepatitis C virus (HCV). In this study, machine learning classifiers such as artificial neural network (ANN), support vector machine (SV...
Structure-Activity Relationship Molecular Structure Drug Design Machine Learning Enzyme Inhibitors High-Throughput Screening Assays Viral Nonstructural Proteins
View on PubMed DOI

Compressed images for affinity prediction-2 (CIFAP-2): an improved machine learning methodology on protein-ligand interactions based on a study on caspase 3 inhibitors.

Journal of enzyme inhibition and medicinal chemistry Jan 1, 2015
The aim of this study is to propose an improved computational methodology, which is called Compressed Images for Affinity Prediction-2 (CIFAP-2) to predict binding affinities of structurally related protein-ligand complexes. CIFAP-2 method is establi...
Humans Regression Analysis Dose-Response Relationship, Drug Machine Learning Structure-Activity Relationship Sulfonamides Ligands Enzyme Inhibitors Caspase 3 Molecular Structure
View on PubMed DOI
Popular Topics
Recent Journals