AIMC Topic: Drug Discovery

Clear Filters Showing 1661 to 1670 of 1689 articles

Predicting Inhibitors for Multidrug Resistance Associated Protein-2 Transporter by Machine Learning Approach.

Combinatorial chemistry & high throughput screening
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...

Approaching Pharmacological Space: Events and Components.

Methods in molecular biology (Clifton, N.J.)
With a view to introducing the concept of pharmacological space and its potential applications in investigating and predicting the toxic mechanisms of xenobiotics, this opening chapter describes the logical relations between conformational behavior, ...

Machine Learning-based Virtual Screening and Its Applications to Alzheimer's Drug Discovery: A Review.

Current pharmaceutical design
BACKGROUND: Virtual Screening (VS) has emerged as an important tool in the drug development process, as it conducts efficient in silico searches over millions of compounds, ultimately increasing yields of potential drug leads. As a subset of Artifici...

[Machine Learning-based Prediction of Seizure-inducing Action as an Adverse Drug Effect].

Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan
 During the preclinical research period of drug development, animal testing is widely used to help screen out a drug's dangerous side effects. However, it remains difficult to predict side effects within the central nervous system. Here, we introduce...

Prediction of Human Drug Targets and Their Interactions Using Machine Learning Methods: Current and Future Perspectives.

Methods in molecular biology (Clifton, N.J.)
Identification of drug targets and drug target interactions are important steps in the drug-discovery pipeline. Successful computational prediction methods can reduce the cost and time demanded by the experimental methods. Knowledge of putative drug ...

Network pharmacology-based analysis of Chinese herbal Naodesheng formula for application to Alzheimer's disease.

Chinese journal of natural medicines
Naodesheng (NDS) formula, which consists of Rhizoma Chuanxiong, Lobed Kudzuvine, Carthamus tinctorius, Radix Notoginseng, and Crataegus pinnatifida, is widely applied for the treatment of cardio/cerebrovascular ischemic diseases, ischemic stroke, and...

Machine Learning Enables Live Label-Free Phenotypic Screening in Three Dimensions.

Assay and drug development technologies
There is a large amount of information in brightfield images that was previously inaccessible by using traditional microscopy techniques. This information can now be exploited by using machine-learning approaches for both image segmentation and the c...