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For the past 10 years ICSYNTH has been the most flexible retrosynthesis software available using the world’s fastest chemical search engine ICFSE. Using our years of experience of working with a host of blue chip pharmaceutical companies, DeepMatter’s new ICSYNTH 4.0 Beta is now even more user friendly. Read on to discover how the new features will enable you to get new synthetic routes to your target compounds faster, better and cheaper.
Convert any lab book or literature procedure into a safe, step by step codified protocol automatically - at the push of a button
DigitalGlassware® automatically creates XML code based on the Recipe the user creates. It means that a chemist with no coding experience can create a comprehensive and complete XML record of their experimental using our Recipe builder tools.
This article highlights the latest release of DigitalGlassware® R2.8.0. The aim of R2.8.0 will be to strengthen and improve the data records captured using the platform to facilitate better insights and analysis.
The addition of outcomes to a run in DigitalGlassware® (and structuring against sensor data) are needed to contextualise and realise the true value of a reaction data set i.e. was this a good data set or a bad data set? This story details the recent update to outcomes, placing the value they provide to data sets and the ability to set Point in Time values.
DeepMatter does more than collect and structure sensor data, we derive insights from your data that you may otherwise miss. An example would be from the DeviceX camera which we can use to quantify colour change and other events in a time-course manner
To facilitate the capture of data from the lab DeepMatter provides several bespoke sensor capturing offerings that come integrated with DigitalGlassware® and are ready to start recording data out of the box: DeviceX and the EnvironmentalSensor
Reaction time observations are typically captured using text or writing down the observation against the experiment record. With DigitalGlassware®, we can captured time stamped notes but also photo notes, meaning ambiguous events such as colour change, precipitation etc can be captured and shared with colleagues.
The ability to persist data on the cloud and maintain version numbers in Recipes allows DigitalGlassware® to keep an archived track of all the users work. This can be accessed immediately and securely through the browser.
RecipeRunner serves multiple roles in the lab including real-time sensor data, capturing notes and guiding you through your Recipe. One role to highlight is the ability to set alerts to sensor data so when the sensor breaches a threshold an alert is fired to the user. Also during Recipe creation there are several tools that can be utilised to help alert the user of risks and places to take care ahead of time (e.g. Caution, Expectations )
Recently Deepmatter participated in the 3rd RSC-BMCS / RSC-CICAG Artificial Intelligence in Chemistry meeting where we spoke about DigitalGlassware® and our efforts on structuring data and outcomes that will lead to faster chemical discovery
DigitalGlassware® offers secure access to your structured data from anywhere you are in the world, all that is needed is access to an internet browser. Previously we spoke towards how to share Recipes easily, here we will highlight in more detail the ability to share your run data, either live or post-hoc.
Data collection in the lab is a fractured experience with chemists required to interact with multiple data sources (often in different labs) to bring together the pieces of the characterisation puzzle. DigitalGlassware® simplifies things tremendously, offering a way to not only aggregate your data in our secure cloud based service, but also connect your devices to capture real time data.
Gathering and completing chemical safety data for your experiment is a necessary task for every laboratory but can be labour intensive and sometimes difficult with information difficult to find. DigitalGlassware® makes it the process easier, providing tools that not only automatically collates safety information but provide output files for you laboratory, keeping you and your colleagues safe without interrupting your workflow.
Less paperwork means more time in the lab for a chemist. DigitalGlassware® aims to reduce the burden of paperwork by providing tools to easily interact with your ELN system like smart Recipe reader, export tools and Jump-to-URL.
Since the Covid-19 pandemic swept the globe, remote working has become the new normal and every industry has been forced to adapt. But while it’s easy enough to discuss ideas over a Zoom chat or work together on a report using Google Docs, the business of chemistry is always going to require practical work in the laboratory.
The DigitalGlassware® platform helps to correlate your actions in the lab with chemical outcomes, providing you with unique insights towards the reasons for success and failure in your reaction.
A failed reaction isn’t just frustrating, it’s costly: wasting energy, chemicals and time. So if a reaction isn’t going the way it should, you need to know as soon as possible.
ICRXN from Infochem is a processing package that allows you to organise, structure and identify synthetically valuable reactions. Find out how ICRXN can help you clean up and declutter your Electronic Lab Notebook even when you are working from home.
The combination of security and adaptability, with the power to tailor reaction schemes to your specific circumstances, makes ICSYNTH the natural choice for your laboratory
Planning your journey to get you there quicker and smarter
DigitalGlassware®, the innovative cloud-based digital chemistry platform from DeepMatter™, brings recordability, reproducibility and shareability to your lab at every stage of the discovery process.
Find out how ICSYNTH and ICFRP combine algorithmic and artificial intelligence approaches to provide powerful computer-aided synthesis design tools, resulting in more efficient pathways towards target molecules.
Find out how DigitalGlassware®, the innovative cloud-based digital chemistry platform from DeepMatter™, lets you keep track of what’s going on inside a flask in your lab just as easily as a video call lets you keep up to date with your colleagues.