05/11/2020 – Failed it to Nailed it! How to get data sharing right! – Data Standards and Guidelines

This event was the second of the `Failed it to Nailed it' online data seminar series. The event was hosted online through a zoom conference. The event ran for approximately…

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05/11/2020 – Failed it to Nailed it! How to get data sharing right! – Data Standards and Guidelines

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This event is the second of four events in our 'Failed it to Nailed it - Getting Data Sharing Right' series. This event aims to provide best practice advice on different types of data standards, including metadata, open data and linked data. There will be three talks by experts in these areas, followed by a discussion panel on data standards.

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15/07/2020 – AI3SD Online Seminar Series: InChI: measuring the molecules – Professor Jonathan Goodman

https://www.youtube.com/watch?v=B881b5BasnU&ab_channel=AI4ScientificDiscovery Interview: Prior to this seminar, AI3SD interviewed Jonathan. This interview can be found here: https://eprints.soton.ac.uk/442343/ Abstract: The IUPAC international chemical identifier, InChI, provides a way to name molecules. It is defined…

Continue Reading 15/07/2020 – AI3SD Online Seminar Series: InChI: measuring the molecules – Professor Jonathan Goodman

15/07/2020 – AI3SD Online Seminar Series: InChI: measuring the molecules – Professor Jonathan Goodman

The IUPAC international chemical identifier, InChI, provides a way to name molecules. It is defined by an open algorithm that transforms molecular structures into unique strings of text. Each molecule should have exactly one InChI, and each InChI should correspond to exactly one molecule. This property makes it a useful tool in the management of chemical information, and it is widely used. The InChI Trust and IUPAC are continuing to work on developing the standard and on creating new tools which are built on the InChI. This talk will outline how the InChI is used now, and how this may develop in the future.

Continue Reading 15/07/2020 – AI3SD Online Seminar Series: InChI: measuring the molecules – Professor Jonathan Goodman

9-11/03/2020 – AI3SD, Dial-a-Molecule & Directed Assembly: AI for Reaction Outcome and Synthetic Route Prediction – DeVere Tortworth Court Hotel, Gloucestershire

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This is a joint meeting between the Dial-a-Molecule, Directed Assembly and AI3SD (Artificial Intelligence and Augmented Intelligence for Automated Investigations for Scientific Discovery) Networks. The meeting will examine the state of the art and future opportunities in the use of Artificial Intelligence to predict the outcome of unknown chemical reactions, and consequently design optimum synthetic routes to desired molecules. A wide variety of AI approaches will be illustrated including expert systems, statistical methods, mechanism based and Machine Learning. The meeting will also consider: Data sourcing, sharing, and quality. Automated experimentation to generate reaction knowledge. Theoretical calculations to enrich or replace experimental data. The meeting will include talks to introduce the breadth of the area to all participants. Discussion sessions and opportunities to develop collaborations will be a key aspect of the meeting.

Continue Reading 9-11/03/2020 – AI3SD, Dial-a-Molecule & Directed Assembly: AI for Reaction Outcome and Synthetic Route Prediction – DeVere Tortworth Court Hotel, Gloucestershire