bzdrazil @bzdrazil@qoto.org
Organising drug discovery data @ChEMBL, editor @jcheminf, living in Vienna & Cambridge, all views are my own, she/her/hers
Joined Nov 2022
May seems to be the month of moving houses/offices etc. My new desk doesn’t look too bad I think :) @emblebi
RT @NittingerEva
Looking forward to my new role and many interesting submissions! https://twitter.com/jcheminf/status/1650473514049105920
RT @jcheminf
Please welcome our new Associate Editor @NittingerEva !
https://jcheminf.biomedcentral.com/about-the-editors
Having fun with @EvanBolton this morning, taking about databases @emblebi @ChEMBL @pubchem #DataScience #drugdiscovery
RT @ukqsar
A very happy 70th birthday to Prof. Peter Willett - one of the most significant contributors to #Chemoinformatics over the past 50 years!
https://scholar.google.com/citations?user=eW094IQAAAAJ
RT @ukqsar
Penultimate speaker of the day is @lucy_vandijk from @VertexPharma talking about Optimizing catalytic reactions using machine learning
RT @jcheminf
Our new Editorial is out, accompanying the special collection on Open Cheminformatics Workflows and Data Analyses. https://jcheminf.biomedcentral.com/articles/10.1186/s13321-023-00718-8 https://www.biomedcentral.com/collections/BDAOCW
Seems we will finally meet in person @pwk2013. Just learnt I will see you next week at the @ukqsar meeting. Hurra!
RT @IreneLopSci
It's been a blast to participate in the LLM for Chemistry hackathon @BenBlaiszik
My brother and I have developed Phenomena, an analysis tool with the goal of building disease to phenotypes relationships based on literature mining. Check the video to see how!
RT @ukqsar
Announcement: the next #UKQSAR meeting will take place on Thursday 20th April, hosted @emblebi. Registration is free. Topics include AI-based molecular design, reaction informatics and database design.
http://chembl.blogspot.com/2023/03/ukqsar-spring-2023-meeting-announcement.html
We collected some exciting topics for the scientific programme of the 9th Joint Sheffield Conference on Chemoinformatics: https://cisrg.shef.ac.uk/shef2023/conference-programme/
Registration is now open: https://cisrg.shef.ac.uk/shef2023/registration/
#cheminf #shef2023 #compchem
RT @ChEMBL
We are happy to announce that @emblebi will be hosting the UK-QSAR spring 2023 meeting! Register quickly and join us to discuss some of the latest developments in AI-based molecular design, reaction informatics and database design: http://chembl.blogspot.com/2023/03/ukqsar-spring-2023-meeting-announcement.html
As expected, we observed a difference in median Natural Product-likeness for molecules published in J Nat Prod vs molecules from other Med Chem journals....
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RT @ChEMBL
The new ChEMBL release 32 now includes a Natural Product-likeness score for small molcules. Check out this new blog post on NP-likeness in ChEMBL: https://chembl.blogspot.com/2023/03/natural-product-likeness-in-chembl.html?spref=tw
@peter_ertl #drugdiscovery
https://twitter.com/ChEMBL/status/1635563944642330626
RT @MatthiasRarey
This years program of GRC Computer-Aided Drug Design Conference (Mt.Snow, July 16-21/23) just published: https://www.grc.org/computer-aided-drug-design-conference/2023/
RT @ChEMBL
The ChEMBL-og: What is Max Phase in ChEMBL? https://chembl.blogspot.com/2023/03/what-is-max-phase-in-chembl.html?spref=tw
#drugdiscovery
I want to thank everybody involved to make the @ChEMBL releases possible. We are 14 people in the team working hard to make this possible. It is not just the public faces ;) Hoping the resource remains useful for many working in #drugdiscovery
@emblebi
http://chembl.blogspot.com/2023/03/chembl-32-is-released.html
RT @ChEMBL
Check out ChEMBL 32, freshly released :) http://chembl.blogspot.com/2023/03/chembl-32-is-released.html
https://www.ebi.ac.uk/chembl/
#drugdiscovery @emblebi
Organising drug discovery data @ChEMBL, editor @jcheminf, living in Vienna & Cambridge, all views are my own, she/her/hers
Joined Nov 2022
