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Cambridge Cheminformatics Newsletter – 24 May 2020

Dear All,

Please find below recent news about events and vacancies in our area, as well as links to some other resources related to cheminformatics and beyond.

In particular I would like to alert everyone to the Cambridge Cheminformatics Meeting on 3 June 2020 – this time we will hold the event via Zoom due to obvious reasons. The programme on this occasion will be as follows:

3 June 2020, 4-5.30pm UK/Britsh Summer Time (5pm Central European Summer Time, 11am Eastern Day Time)

“New approach in computer-aided retrosynthesis design and application”
Ning Xia, Chemical AI

“Exploring the Use of Compound-Induced Transcriptomic Data Generated From Cell Lines to Predict Compound Activity Toward Molecular Targets”
Benoit Baillif, formerly BayerCropScienceît-baillif/
(see for article that forms basis of the presentation)

Please register here (feel free to circulate to colleagues or friends who might be interested, participation is open to all):


What has reached me is as follows, with an increasing number of events now going virtual:

Society of Toxicology Virtual Meeting Programme (programm online until end of June, many events free to participants)

‘Medical Discovery Catapult (MDC) Connects Webinar Series’ (all at 2pm UK time, still running until 17 June)
Understanding the PK/PD Relationship – 27th May
Target Validation and Efficacy – 3rd June
Is my Compound Safe? – 10th June
Developing a Biomarker Strategy – 17th June

SCI-RSC Workshop on Computational Tools for Drug Discovery (all 3-5pm UK time, still running until 17 June; online event)
Structure-based drug design with CSD-Discovery – 27 May
Guided Multi-Parameter Optimisation of 2D and 3D SAR – 3 June
An interactive workflow for hit list triaging – 10 June

28 May, 4pm UK time (11am EDT, online event)
Computational Toxicology Communities of Practice: High-Throughput Screening and Environmental Risk Assessment – viewing the forest and a tree
Environmental Protection Agency (EPA), USA

29 May, 9-4.30pm (CEST, online event)
Open workshop invitation: Accelerating chemical design and synthesis using artificial intelligence
RISE, Sweden

20-24 September 2020
23rd EuroQSAR
Barcelona, Spain (currently to be held in person)
Abstract deadlines 11 June (oral), 4 August (posters)

22/23 September 2020
British Toxicology Society Annual Congress
Cardiff, UK (currently to be held in person)

30 September 2020 – save the date!
‘In Silico Toxicology’ Network Meeting (attendance free)
Cambridge or via Zoom (TBC), programme and registration will be available shortly

1-3 November 2020
German Conference on Cheminformatics
Mainz, Germany (but to be held virtually this year)



Structural Bioinformatics Scientist

Cheminformatics Software Developer, Structural Bioinformatics Scientist

Senior Data Scientist or Associate Principal Scientist

PhD position: Designing new molecules against Alzheimer’s disease using artificial intelligence techniques
Sheffield University

Postdoc, Computational Chemistry


Computational Chemist
Chiesi Group
Parma, Italy


Springer has released 65 Machine Learning and Data books for free

‘Is Life Worth Living?’ – Very hands-on cheminformatics blog
Recent topics comprise conformal prediction, structure generation, QSAR and beyond. Much recommended!

and beyond Cheminformatics

I have started to listen to music radio stations from all over the world recently (impacted by the lockdown I assume), and current winner in the ‘breakfast & evening cocktail’ is:
Jazz Sakura (Japanese, but only music so quite secondary)

The NPR ‘Tiny Desk Concert’ series is also a good choice, such as the one by Sting and Shaggy:

And finally, the Indian ‘Coke Studio’ (referring to the drink) series, a cross-over between traditional Indian songs, heavy metal (and everything else)… reminds me of the many years I spent teaching bioinformatics in Bangalore in summer

Our future meeting dates for 2020 are listed on our website at; we will continue our events virtually for the time being. If you would like to speak at our events anytime, have information to circulate, or would like to join this (low volume) mailing list please just let me know.

I am looking forward to seeing you in person (or for the time being virtually) at one of our next events!

Best wishes,

1 thought on “Cambridge Cheminformatics Newsletter – 24 May 2020”

  1. Pingback: Cambridge Cheminformatics Newsletter, 15 June 2020 – DrugDiscovery.NET – AI in Drug Discovery

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