Wendy Warr

Hard copy exists but almost everyone gets electronic version.
Contents list and order forms available at www.warr.com. Usual discount for academia and government continues but multi-user license no longer applicable. Look at the significant reduction in prices; >60% off for industry!

Sustainable research through digital lab environments - thats the topic of the new podcast with 2 of our leads/board members.

- What are ELNs – and what can they really do?
- Data as fuel for innovation
- Science vs. business

#chemistry #rdm #research #fairdata #openscience

https://t1p.de/ycxpg

Certainty Discovery 2025 Join us for the latest Certainty customer summit: Certainty Discovery. This two-day event showcases the combined expertise of Certara, Chemaxon, and their global community of customers, empowering sci...

Adrian Stevens, Nathan Brown, John G. Cumming, Claire Bellamy, Thomas Fox, Christian Baber, Miklós Fehér, Filip Miljković, and Matthias Gehringer speaking. Free to attend but reserve your place now at chemaxon.com/certainty-di...

Certainty Discovery 2025 Join us for the latest Certainty customer summit: Certainty Discovery. This two-day event showcases the combined expertise of Certara, Chemaxon, and their global community of customers, empowering sci...

Adrian Stevens, Nathan Brown, John G. Cumming, Claire Bellamy, Thomas Fox, Christian Baber, Miklós Fehér, Filip Miljković, and Matthias Gehringer speaking at Day 1 of chemaxon.com/certainty-di....

Certainty Discovery 2025 Join us for the latest Certainty customer summit: Certainty Discovery. This two-day event showcases the combined expertise of Certara, Chemaxon, and their global community of customers, empowering sci...

Certainty Discovery, November 4-5, Frankfurt. I was co-organizer of the Scientific Conference on Day 1 featuring renowned industry speakers discussing the impact of new modalities on therapy discovery. Free to attend but reserve your place now at chemaxon.com/certainty-di....

@nfdi4chem.de EuroSAMPL2 will use microstate pKa values, pushing the limits of experiment and theory

@nfdi4chem.de many submissions were not properly documented. small community size and no females.

@nfdi4chem.de in first EuroSAMPL users had to predict pKa value for SMILES and everyone decided on a FAIR and reproducible score for submissions.

@nfdi4chem.de finally Stefan Kast on EuroSAMPL. intro on the need for use stories. The very recent paper in PCCP has NFDI 4Chem on the cover Stefan gives a short overview of blind challenges

@nfdi4chem.de Siebert on self- regulated learning

@nfdi4chem.de seibert on research skills and research-based learning : 21st century skills

@nfdi4chem.de now Johann-Nikolaus Seibert joins us remotely to discuss chemistry teaching in RDM.

@nfdi4chem.de In future for DMP work:
template refinement
and integration with other systems

@nfdi4chem.de NFDI4Chem is involved in
DMP4NFDI

@nfdi4chem.de second topic is data management plans. CDMO tool required study of user needs. Verbiage on Zenodo. You can get a template to make your own DMP

@nfdi4chem.de now a talk about training in research data management (RDM). Twin the trainer material is available

@nfdi4chem.de Chemotion training continues and LabMotion. There are training videos for Chemotion . Johannnes gives stats on knowledge base visitors

@nfdi4chem.de Helpdesk collaborates with other help desks. InChI 1.07.5 handles organometallics. Stereochem will be enhanced in next release.

@nfdi4chem.de column in Nachrichten aimed at German chemists. Helpdesk stats refelct a success story

@nfdi4chem.de Hall of Fame and interviews are on the website. Last Friday of every month the Stammtisch

@nfdi4chem.de number of visitors to website increases. FAIR4Chem award has put out another call for applications

@nfdi4chem.de TA5 is training and conferences and things. Johannes addresses them. the international program already described fits in here. There is an NFDI4Chem newsletter. Also social media. lots of followers but more communication is necessary

@nfdi4chem.de international activities now summarised including @psdi-uk.bsky.social InChI Trust, RDA, Editors4Chem elixir and more. workshops on sustainable digital chem data standards also supported by Beilstein. Also workshops for ontologies. eosc and FAIR-IMPACT

@nfdi4chem.de building the ChemKG (chemistry knowledge graph) so the search service can be finalised in funding phase 2. vision is to get more detailed . Integrate dialects into one knowledge graph. semantic layer will make data truly AI-ready

@nfdi4chem.de the metadata schema service and MIChI schemas discussed in this talk about the hub

@nfdi4chem.de next Philip and Steffen will talk about evolution of the metadata architecture: the semantic data hub

@nfdi4chem.de pue line to extract metadata and map terms. Bene shows yaml. Input to ELN repo And can search

@nfdi4chem.de Bene takes over. metadata pipeline to handle the converted data . Mass spec and MIChI MInChI example

@nfdi4chem.de Lincoln shows model context protocols

@nfdi4chem.de there is mass spec file converter. Lincoln describes metadata extraction tool