7 Useful Mobile Apps For Drug Discovery Professionals

SN
Mobile app
Features
Operating systems
1.      
Medicinal Chemistry Toolkit
(Free)
The app contains tools to calculate and graphically visualize a number of values, including:
·    Cheng-Prusoff;
·    Dose to man;
·    Gibbs free energy to binding constant;
·    potency shift due to plasma protein binding;
·    Log D vs pH curves;
·    Ligand Lipophilic Efficiency;
·    GClogP

The App also includes a compound quality calculator, a maximum absorbable dose calculator; attrition modeller, drug-drug interactions calculator and more.

The App also includes a compound quality calculator, a maximum absorbable dose calculator; attrition modeller, drug-drug interactions calculator and more.
iPad and requires iOS 7.1 or later.
2.      
PolyPharma
The PolyPharma provides powerful modeling and prediction tools with intuitive visualization layout for computer-aided drug design (CADD) practitioners.

The app contains hundreds of Bayesian models for disease targets and off-targets. All the calculations are done locally, internet connection is not required.

The app features powerful graphical module able to generate colour-coded heatmaps, and structure overlays for correlating structure regions with activity or inertness.

There is a honeycomb clustering feature for interactively exploring the structure-activity neighborhood, in the context of the molecules used to build the target molecules.
Compatible with iPhone, iPad, and iPod touch and requires iOS 9.2 or later.
3.      
The Approved Drugs
The Approved Drugs app summarizes over a thousand chemical structures and names of small molecule drugs approved by the US Food & Drug Administration (FDA). The app layout allows for a suitable browsing the structures and names, filtering by structural features, and ranking by similarity to a user-drawn fragment of a molecule. The detailed view allows exploring a 3D conformation as well as tautomers of the small molecules in the list.

The structures from search results can be exported in a variety of ways - to email, twitter, clipboard etc.
Compatible with iPhone, iPad, and iPod and requires iOS 8.4 or later.
4.      
Reaxys Reaction Flow
(Free)
This app is a suitable way to spend time during travel or waiting in a queue refreshing memory on named chemical reactions and their mechanisms. This educational app is made like a set of flashcards containing hundreds of well-known as well as rarely used chemical reactions, so it can be used as a learning tool and a reference.
iPhone, iPad, and iPod Touch, it requires iOS 8.0 or later.
5.      
EnamineStore Mobile
It is a browser-based mobile website giving access to commercial libraries of small molecules for drug discovery research supplied by several chemical producers - Enamine Ltd, FCH Group and UORSY. 

The mobile app features classified sets of building block molecules with diverse functionality combinations, for example, Fluorinated Amino Azoles, Proline Analogues, etc.

For each selected molecule, the app automatically suggests a list of analogs to select from. Building blocks database includes over 170 000 small molecules.

The app supports text search functionality to search a database of over 2 100 000 stock screening compounds by name, commercial compound IDs, or CAS numbers.
Android, iOS, and Windows.
6.      
Labster VR
This wonderful app opens doors into the future of scientific education - experimentation in a virtual reality laboratory. The Labster VR app for iPad will be featuring a number of different labs and experiment set-ups which can be manipulated in a usual touch screen mode or through virtual reality goggles.

Currently, there is only High-Performance Liquid Chromatography (HPLC) lab is presented in the app, where a student can analyze drug stability by comparing drugs that have been stored in different conditions. The theoretical principles and the equipment features of Liquid Chromatography are explained during the virtual experimentation.

7.      
ACS Mobile and RSC Mobile
American Chemical Society and Royal Society of Chemistry mobile applications for reading their peer-reviewed content. Essentially, two very similar applications for accessing, reading and sharing thousands of research publications on mobile devices. Both applications support powerful search functionality by keywords, author names, and other parameters.
Android


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