Jcheminf.biomedcentral.com

HAMdb: a database of human autophagy modulators with specific …

HAMdb website is available at http://hamdb.scbdd.com. The website is designed to give a comfortable way for data querying, searching, browsing, and visualization. HAMdb consists of four main functional modules: … See more

Actived: 9 days ago

URL: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0289-4

A review of computational drug repositioning: strategies, …

WEBDrug repositioning is the process of identifying novel therapeutic potentials for existing drugs and discovering therapies for untreated diseases. Drug repositioning, …

Category: Health Go Health

BitterMatch: recommendation systems for matching molecules …

WEBThe sense of taste is a key driver in food choice and consumption [], and therefore has major implications for nutrition and health.The ability to taste is impacted …

Category: Nutrition, Food Go Health

BioTransformer: a comprehensive computational tool for small …

WEBA number of computational tools for metabolism prediction have been developed over the last 20 years to predict the structures of small molecules undergoing …

Category: Health Go Health

Systems biology approaches for advancing the discovery of …

WEBComplex diseases like cancer are regulated by large, interconnected networks with many pathways affecting cell proliferation, invasion, and drug resistance. …

Category: Cancer Go Health

SmartGraph: a network pharmacology investigation platform

WEBDrug discovery investigations need to incorporate network pharmacology concepts while navigating the complex landscape of drug-target and target-target …

Category: Health Go Health

A general model for predicting enzyme functions based on …

WEBAccurate prediction of the enzyme comission (EC) numbers for chemical reactions is essential for the understanding and manipulation of enzyme functions, …

Category: Health Go Health

The CompTox Chemistry Dashboard: a community data resource …

WEBDespite an abundance of online databases providing access to chemical data, there is increasing demand for high-quality, structure-curated, open data to meet the various …

Category: Health Go Health

TCMSP: a database of systems pharmacology for drug discovery …

WEBTraditional herbal medicine with the longest history in Asia, is a cost-effective system of medical practice that differs in substance, methodology, and philosophy from …

Category: Medical, Medicine Go Health

MAIP: a web service for predicting blood‐stage malaria inhibitors

WEBMalaria is a disease affecting hundreds of millions of people across the world, mainly in developing countries and especially in sub-Saharan Africa. It is the …

Category: Health Go Health

Linked open drug data for pharmaceutical research and …

WEBThere is an abundance of information about drugs available on the Web. Data sources range from medicinal chemistry results, over the impact of drugs on gene …

Category: Health Go Health

Review on natural products databases: where to find data in 2020

WEBNatural products (NPs) have been the centre of attention of the scientific community in the last decencies and the interest around them continues to grow …

Category: Health Go Health

ClassyFire: automated chemical classification with a …

WEBBackground Scientists have long been driven by the desire to describe, organize, classify, and compare objects using taxonomies and/or ontologies. In contrast …

Category: Health Go Health

SkinSensDB: a curated database for skin sensitization assays

WEBSkin sensitization associated with allergic contact dermatitis (ACD) is the second most common occupational illness accounting for 10–15% of all occupational …

Category: Health Go Health

Drug repositioning: a machine-learning approach through data

WEBExisting computational methods for drug repositioning either rely only on the gene expression response of cell lines after treatment, or on drug-to-disease …

Category: Health Go Health

Drug-likeness analysis of traditional Chinese medicines: 1. property

WEBBackground In this work, we analyzed and compared the distribution profiles of a wide variety of molecular properties for three compound classes: drug-like …

Category: Health Go Health

Free and open-source QSAR-ready workflow for automated …

WEBThe rapid increase of publicly available chemical structures and associated experimental data presents a valuable opportunity to build robust QSAR models for …

Category: Health Go Health

A fingerprints based molecular property prediction method using …

WEBMolecular property prediction (MPP) is vital in drug discovery and drug reposition. Deep learning-based MPP models capture molecular property-related …

Category: Health Go Health

SAR and QSAR modeling of a large collection of LD

WEBThe median lethal dose for rodent oral acute toxicity (LD50) is a standard piece of information required to categorize chemicals in terms of the potential hazard …

Category: Health Go Health

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