7 Useful Mobile Apps For Drug Discovery Professionals
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SN
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Mobile app
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Features
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Operating systems
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1.
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Medicinal
Chemistry Toolkit
(Free)
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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.
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iPad
and requires iOS 7.1 or later.
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2.
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PolyPharma
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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.
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Compatible
with iPhone, iPad, and iPod touch and requires iOS 9.2 or later.
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3.
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The
Approved Drugs
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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.
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Compatible
with iPhone, iPad, and iPod and requires iOS 8.4 or later.
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4.
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Reaxys
Reaction Flow
(Free)
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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.
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iPhone,
iPad, and iPod Touch, it requires iOS 8.0 or later.
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5.
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EnamineStore
Mobile
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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.
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Android,
iOS, and Windows.
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6.
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Labster
VR
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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.
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7.
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ACS
Mobile and RSC Mobile
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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.
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Android
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