Cambridge Cheminformatics Newsletter, 26 October 2021

Dear All,

I would like to circulate some current Cheminformatics (and related) news to everyone as follows – please note that our next Cambridge Cheminformatics Meeting will take place on 24 November 2021 at 4pm UK time, with details given below:

Events (generally online and free)

27 October 2021 (and subsequent dates)
AI3SD Autumn Seminar Series
https://www.ai3sd.org/ai3sd-online-seminar-series/autumn-seminar-series-2021/

27 October 2021 (and subsequent dates)
ChemAxon Cheminfo Stories 2021
https://chemaxon.com/events/cheminfo-stories-2021

4 November 2021 (and subsequent dates)
Omics in Drug Discovery – Webinar series
https://app.livestorm.co/front-line-genomics/omics-in-drug-discovery-online-webinar-1-utilising-omics-datasets-for-drug-target-id-and-validation

4 November 2021
KNIME Data Talks – R&D in Life Sciences
https://datatalks.knime.com/rd-life-sciences

24 November 2021
Cambridge Cheminformatics Meeting
https://zoom.us/meeting/register/tJEldeCqqTosGdOWCV183-Ql7B5G1Crz1Zx7 (registration open)

Programme:

Measuring the “Immeasurable”: Evaluating the Predictive Validity of Models in Drug R&D
Jack Scannell, JW Scannell Analytics Ltd. and the University of Edinburgh
https://www.linkedin.com/in/jack-scannell-554b28/

MAYGEN: an open-source chemical structure generator
Mehmet Aziz Yirik, Jena University
https://cheminf.uni-jena.de/members/mehmet-aziz-yirik/

Third slot is still open – please let me know if you would like to present!

13 December 2021
ELLIS Machine Learning for Molecule Discovery Workshop
https://moleculediscovery.github.io/workshop2021/

27 June – 1 July 2022
Strasbourg Summer School in Chemoinformatics 2022
http://infochim.u-strasbg.fr/spip.php?rubrique286

Jobs

Post Doc – Preclinical PK/PD Modelling and Simulation
Boehringer-Ingelheim
Biberach, Germany
https://www.linkedin.com/jobs/view/2694592686

Juniorprofessur Theoretische Chemie/Assistant Professor Theoretical Chemistry
Kiel University
Kiel, Germany
https://www.berufungen.uni-kiel.de/de/dateien/oeffentl.-dateien/w1/w-1-professur-mit-tenure-track-fuer-theoretische-chemie-1

Digital Data Strategy Leader
Genmab
Princeton, NJ
https://www.linkedin.com/jobs/view/2739881077

Director, AI Computational Chemistry; Cheminformatician (and others)
Healx
Cambridge, UK
https://healx.io/careers/#jobs-section

Research Scientist/Engineer – Machine Learning to Model Biomolecules
Bayer
Berlin, Germany
https://karriere.bayer.de/en/job/research-scientist-and-engineer–machine-learning-to-model-biomolecules-m-f-d–SF472741_en_US

Computational Toxicologist in Genetic Toxicology
Bayer
Berlin, Germany
https://jobs.bayer.com/job/Berlin-Computational-Toxicologist-in-Genetic-Toxicology-%28mfd%29-Berl/728525501/

Postdoctoral Researcher, Cheminformatics
Vienna University
Vienna, Austria
https://pharminfo.univie.ac.at/fileadmin/user_upload/a_pharminfo/files/2021/news/08/PostDoc_Ecker_HELM_job-advertisment_neu.pdf

Application Scientist, Devops Engineer, Cheminformatician/C++ Developer
DeepMatter
Munich, Germany or Glasgow, Scotland
https://www.deepmatter.io/about-us/careers/

Cheminformaticians (Molecular Descriptors/Databases), VP Technology, Knowledge Graph Engineer
Merantix
Berlin, Germany
https://www.linkedin.com/jobs/view/2764508902
https://www.linkedin.com/jobs/view/2764508800
https://www.linkedin.com/jobs/view/2770093743
https://www.linkedin.com/jobs/view/2764507919

Postdoc Positions – Tool Development for Peptide Therapeutics
University of Warsaw
Warsaw, Poland
http://lcbio.pl/jobs/

Group Leader, Structural Biology
Bicycle Therapeutics
Cambridge, UK
https://bicycletherapeutics.ciphr-irecruit.com/Applicants/vacancy/2257/Group-Leader-Structural-Biology

Computational Chemist, Drug Discovery Data Scientist (and others)
Charm Therapeutics
London, UK
https://jobs.lever.co/CharmTherapeutics

Data and Informatics Specialist, Head of Data Quality and Data Governance
Syngenta
Bracknell, UK
https://www.linkedin.com/jobs/view/2660073008/
https://www.linkedin.com/jobs/view/2660071529

Research Associate in Machine Learning and Reaction Modelling
University of Bath
Bath, UK
https://www.bath.ac.uk/jobs/Vacancy.aspx?ref=CC8738

Senior Informatics Scientist
Sygnature Discovery
Nottingham, UK
https://www.linkedin.com/jobs/view/2764122193

Head of Cheminformatics
Roivant
New York, NY
https://www.linkedin.com/jobs/view/2675960747

Computational Chemist
Relay Therapeutics
Cambridge, MA
https://www.linkedin.com/jobs/view/2759394660

Data Scientist Chemometrics/Cheminformatics
DSM
Kaiseraugst, Switzerland
https://www.linkedin.com/jobs/view/2754404592

Cheminformatician
Unilever
Sharnbrook, UK
https://www.linkedin.com/jobs/view/2754844662

Associate Professor of Drug-related Data Science
Copenhagen University
Copenhagen, Denmark
https://jobportal.ku.dk/videnskabelige-stillinger/?show=154930

Cheminformatics…

An introduction to cheminformatics, data analysis and machine learning
By Pat Walters (part of the RSC CICAG Open Chemical Sciences workshop series)
https://www.macinchem.org/blog/files/fe66130c1da3375e46d0512e483eb901-2791.php

Molecular Docking with Open Access Software
(Blog post/article with GitHub repository by Chris Swain, et al.)
https://www.macinchem.org/blog/files/0b1fbe870b9b916592295f8c52a558c0-2792.php

Practical Cheminformatics – The Directory (by Pat Walters)
http://practicalcheminformatics.blogspot.com/2021/08/an-annotated-guide-to-practical.html

Cambridge Cheminformatics Meeting, 1 September 2021 – recording now online!
Including:
“Computational Prediction of Allosteric Sites in GPCRs” by Irina Tikhonova and
“DECIMER: Deep Learning for Chemical Image Recognition” by Chris Steinbeck
https://www.youtube.com/watch?v=flFQHmNQ9EA

Digital Science for Drug Discovery, 9 September 2021 – recording online!
Including:
“Single-sequence structure prediction in a post-AlphaFold2 world” by Mohammed AlQuraishi
“Challenges and Opportunities for Machine Learning in Drug Discovery” by Pat Walters
https://www.youtube.com/watch?v=rfsRdfcoODs

JupyterDock – Docking with Autodock Vina, via the Jupyter Notebook
https://chem-workflows.com/articles/2021/09/18/1-molecular-docking/

… beyond cheminformatics …

“It’s time to stop making t-SNE & UMAP plots.” (or is it?)
Twitter thread by Lior Pachter, also read comments for further discussion
https://twitter.com/lpachter/status/1431325969411821572?s=19

Fifteen quick tips for success with HPC, i.e., responsibly BASHing that Linux cluster
https://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1009207

Computational Toxicology Newsletter
https://www.getrevue.co/profile/comptox-newsletter

… and really beyond Cheminformatics

We all play the status game, but who are the real winners?
https://www.theguardian.com/society/2021/aug/29/we-all-play-the-status-game-but-who-are-the-real-winners

The Best Time-Management Advice Is Depressing But Liberating
https://www.theatlantic.com/family/archive/2021/08/oliver-burkeman-advice-time-productivity/619723/

Ana Vidovic – Classical Guitar Concert
https://www.youtube.com/watch?v=e26zZ83Oh6Y

I believe this is all from my side for now – if you have any information for me to circulate, or wish to present at one of our next Cheminformatics Meetings, please just let me know please, cheers!

Best wishes,
Andreas

Leave a Reply

Your email address will not be published. Required fields are marked *