Cambridge Cheminformatics Newsletter, 22 July 2021

Dear All,

I would like to circulate some current Cheminformatics (and related) news which has recently reached me to everyone as follows:

Events

13-20 August 2021
IUPAC CCCE 2021 World Chemistry Leadership Meeting
Impact of Artificial Intelligence on the Future of Chemistry
https://www.cheminst.ca/conference/ccce2021/general-assembly/2021-world-chemistry-leadership-meeting/

19 August 2021 (and subsequent monthly dates)
RSC CICAG Open Chemical Sciences Workshops
https://www.macinchem.org/blog/files/175c5e908c2221d5a160c76f61e14c11-2764.php
https://www.eventbrite.com/e/open-source-tools-for-chemistry-workshops-tickets-156431429617

1 September 2021, 4pm UK
Cambridge Cheminformatics Meeting – speaker slot available, please let me know if you wish to present!
Program will be announced shortly, save the date
http://www.c-inf.net

9 September 2021, 3pm UK/4pm Germany
Berlin Digital Science for Drug Discovery Meeting
Programme will be announced shortly, save the date
http://www.DigiDrug.net

27 September – 1 October 2021
Eurotox 2021
https://www.eurotox2021.com

14/15 October 2021
10th RDKit UGM
https://www.eventbrite.com/e/virtual-10th-rdkit-ugm-2021-tickets-157206887031

21 October 2021
DISCNGINE Digital Discovery Meet Up
https://www.discngine.com/digital-discovery-meeting

22/23 November 2021
Virtual Winter Workshop: Multiscale modeling in materials science, chemistry, and biology
https://www.compnano.kit.edu/WinterWorkshop2021.php

12-16 June 2022
12th International Conference on Chemical Structures
https://iccs-nl.org/

Vacancies

Europe

Sustaining Innovation Postdoctoral Research Associate
Astex
Cambridge, UK
https://astx.com/wp-content/uploads/2021/05/SI-Postdoc-Astex-Sanger.pdf

Data Scientist, Bioinformatician, and others
Evotec
Toulouse, France; Hamburg, Germany, and others
https://evotecgroup.wd3.myworkdayjobs.com/en-US/Evotec_Career_Site/job/Toulouse/Data-Scientist-PhD-Level–M-F-_REQ-03501

PK/PD Modeller
GSK
Stevenage, UK
https://www.linkedin.com/jobs/view/2637025998

Computational Chemist
Symeres
Nijmegen, The Netherlands
https://symeres.com/wp-content/uploads/2021/05/05-Computational-Chemist.pdf

Machine Learning Specialist
Selvita
Cracow, Poland
https://www.linkedin.com/jobs/view/2516951514

Senior Scientist PK/PD Modeling in Drug Safety and DMPK
Boehringer-Ingelheim
Ingelheim, Germany
https://www.linkedin.com/jobs/view/2555172300

CIFRE Associate Scientist โ€“ In silico Drug Design
Sanofi
Chilly-Mazarin, France
https://www.linkedin.com/jobs/view/2619601376

Senior Researcher โ€“ Deep Learning for Chemistry
Microsoft
Cambridge, UK
https://careers.microsoft.com/us/en/job/1093223/Senior-Researcher-Deep-Learning-for-Chemistry

Post doctoral position Computational Chemistry
Eli Lilly
Madrid, Spain
https://www.linkedin.com/jobs/view/2604989318

Postdoc in Machine Learning for Structure-based Drug Design
Marseille University
Marseille, France
https://academicpositions.com/ad/aix-marseille-universite/2021/postdoc-in-machine-learning-for-structure-based-drug-design/160669

Discovery Data Manager, Computational Chemist/Cheminformatician, Senior Computational Chemist
SoseiHeptares
Cambridge, UK
https://cezanneondemand.intervieweb.it/heptares/jobs/discovery_data_manager_15286/en/
https://cezanneondemand.intervieweb.it/heptares/jobs/computational_chemist_14413/en/
https://cezanneondemand.intervieweb.it/heptares/jobs/senior_computational_chemist_15289/en/

Senior Informatics Manager
University of Oxford
Oxford, UK
https://www.linkedin.com/jobs/view/2619862259

DevOps Engineer, Software Engineer, Postdoc Cheminformatics
Optibrium
Cambridge, UK
https://www.optibrium.com/careers/

Cheminformatics Data Scientist
Cambridge Crystallographic Data Centre (CCDC)
Cambridge, UK
https://ccdc.peoplehr.net/Pages/JobBoard/Opening.aspx?v=30d4b7e5-e74a-43b2-85c6-e0fe64284e22

Data Scientist – Drug Design & Augmented Intelligence
Johnson&Johnson
Antwerp, Belgium
https://www.linkedin.com/jobs/view/2610540730

Postdoctoral Researcher, Chemical Data Scientist – DMTA Cycles
ETH Zurich
Zurich, Switzerland
https://www.jobs.ethz.ch/job/view/JOPG_ethz_7Q42GM2M0S1yfUJVti

Computational Chemist – Oligonucleotide Therapeutics
AstraZeneca
Gothenburg, Sweden
https://www.linkedin.com/jobs/view/2652308562

Senior/Principal Scientist – Molecular Modelling/Cheminformatics for Biologics
NovoNordisk
Malov, Denmark
https://careers.novonordisk.com/job/M%C3%A5l%C3%B8v-SeniorPrincipal-Scientist-Molecular-Modelling%2C-Cheminformatics-for-Biologics-Capi/694332901/

PostDoc – Computational Chemistry
AbbVie
Ludwigshafen, Germany
https://www.linkedin.com/jobs/view/2656209672

World

Postdoc Cheminformatics
National Institute of Environmental Health Sciences (NIEHS)
Research Triangle Park, NC
https://www.training.nih.gov/postdoc_jobs_nih/view/_31/8679/Cheminformatics

Research Scientist, Computational Chemistry
Vertex
Boston, MA
https://vrtx.wd5.myworkdayjobs.com/Vertex_Careers/job/Boston-MA/Research-Scientist–Computational-Chemistry_REQ-11459?shared_id=c10280a6-dc0d-4e56-bce0-e23bc4ced46a

Application Scientist
ChemAxon
Boston, San Francisco, or San Diego, USA
https://chemaxon.com/jobs/application-scientist-usa-2

Cheminformatics…

NCATS Inxight: Drugs, a comprehensive portal for drug development information
https://drugs.ncats.io

Fingerprint similarity thresholds for database searches (by Greg Landrum)
https://greglandrum.github.io/rdkit-blog/similarity/reference/2021/05/21/similarity-search-thresholds.html
(For the more historically minded, see also eg Table 5 in https://pubs.rsc.org/en/content/articlehtml/2004/ob/b409865j)

Best practices in machine learning for chemistry
https://www.nature.com/articles/s41557-021-00716-z
(time for some checks and balances)

Cambridge Cheminformatics Meeting, 2 June 2021 – Recording now online
https://youtu.be/T-AtZgGanAk
“Pursuing a Prospective Perspective”, by Steven Kearnes
“Augmenting the drug design process with experimental protein-ligand interaction data”, Andreas Tosstorff
“DataFAIRy bioassays pilot project – lessons learned and future outlook”, Isabella Feierberg, Samantha Jeschonek and Nick Lynch, via the Pistoia Alliance

… beyond cheminformatics …

Rationality over fashion and hype in drug design
https://f1000research.com/articles/10-397
(the pendulum is swinging back a bit…)

How to spin your scientific research out of a university and into a startup
https://blog.ycombinator.com/how-to-spin-your-scientific-research-out-of-a-university-and-into-a-startup/
http://paulgraham.com/really.html
(excellent blog posts about spinning start-ups out of universities, and what to expect when building them)

Common pitfalls in preclinical cancer target validation
https://www.nature.com/articles/nrc.2017.32
(do we really know what we think we know?)

How a Japanese cucumber farmer is using deep learning and TensorFlow
https://cloud.google.com/blog/products/ai-machine-learning/how-a-japanese-cucumber-farmer-is-using-deep-learning-and-tensorflow
(it’s not all about drugs… but also about cucumbers)

“Die Reise von Wirkstoffen: Aufnahme, Verteilung und Metabolisierung” (Podcast on DMPK, by Bernd Rupp, in German)
https://www.linkedin.com/pulse/wsr043-die-reise-von-wirkstoffen-aufnahme-verteilung-und-bernd-rupp

... and certainly beyond cheminformatics

Fixing the crisis state of scientific evaluation (by Jonathan Tennant)
https://osf.io/preprints/socarxiv/f4zk9/

Games academics play and their consequences: how authorship, h-index and journal impact factors are shaping the future of academia
https://royalsocietypublishing.org/doi/10.1098/rspb.2019.2047

The Ideology of Sacrifice Conditioning Us Must End
https://bylinetimes.com/2020/05/21/the-ideology-of-sacrifice-conditioning-us-must-end/
(on our conditioning, and the world we form everyday through our actions)

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

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