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Cambridge Cheminformatics Newsletter, 6 July 2020

Dear All,

In particular due to some relevant upcoming events (and also new vacancies that have recently reached me) I would like to circulate this Cheminformatics newsletter relatively soon after the previous oneā€¦ here we go:

Events (all times where listed are UK time)

29 June – 3 July 2020 (most lectures recorded and still online via Youtube, registration below)

Chemoinformatics Strasbourg Summer School

(online and free)

9 July 2020, 4pm

Cross-Functional Drug Discovery of Novel Non-Natural Entities

(meaning here: “such as bicyclic and stapled peptides, antibody- and peptide-drug conjugates, and non-natural RNAs.”)

(online and free)

9 July 2020, 2pm

Mini-Symposium Molecular Machine Learning

(online and free)

16 July 2020

Systems Modelling in the Pharmaceutical Industry – Problem Solving Workshop

(online and free)

22 July 2020

Psychopharmacology drug discovery in the 21st century

(online and free)

23 July 2020

Where are we now? Celebrating the 10th Incremental Release of the CompTox Chemicals Dashboard

Antony Williams, EPA

(online and free)

2 September 2020, 4-5.30pm

Cambridge Cheminformatics Meeting

(online and free)

Chris Southan: “Expanding connectivity between documents, structures and bioactivity”

Second speaker slot still open – please let me know if you wish to present at this meeting (via Zoom) or a future meeting!

28-29 September 2020

3rd RSC-BMCS / RSC-CICAG Artificial Intelligence in Chemistry


29-30 September 2020

Chemical Science Symposium 2020: How can machine learning and autonomy accelerate chemistry?

(online and nominal fee)

30 September 2020

‘In Silico Toxicology’ Network Meeting

(online and free – ‘flash poster’ submission open until 31 July!)

9-13 November 2020

Open Chemical Science Workshop, by the RSC

(online and free)



Computational Chemist



Senior Computational Chemist

Sygnature Discovery

Nottingham or Alderley Park

Lead Computational Chemist

Wren Therapeutics



Head of pre-sales (and other positions)


Team Leader Computational Structural Biology



Principal Scientist in data driven drug discovery




Cheminformatics Expert


Basel, Switzerland


Human Technopole

Milan, Italy

Data Scientist


Frankfurt, Germany

Computational Chemist


Toulouse, France

Tenure-track Asst/Assoc/Full Professor Machine Learning for Molecular Design

Eindhoven University of Technology

Eindhoven, NL

Postdoctoral fellow in Molecular Modelling

University of Lausanne

Lausanne, Switzerland

Senior Scientist/Associate Principal Scientist – Modelling & Simulation Specialist


Molndal, Sweden


Principal Scientist – DEL Informatics


Boston, MA

Staff Scientist/Computational Toxicologist


Research Triangle Park, NC


Lilly Life Sciences Studio (L2S2): A Next Generation Drug Discovery Platform

(recorded full presentation)

SMARTS viewer – a small tool, but very useful if needed:

“Machine Learning Mastery”

You might find this useful for getting started with Weka, Python, R, … (some of my group members certainly did)

... and beyond Cheminformatics

Can a Biologist Fix a Radio?

(a true classic… but admittedly one I only came across just now. Things may have moved on since then, but possibly not too much. Very much worth a read!)

And that is it from my side again, at least for now. If you wish to present at one of our next Cheminformatics Meetings, whether virtually or in person, please let me know, and likewise if you have any information for me to circulate to this audience, cheers!

All the best, Andreas

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