Bart Lenselink
@LenselinkBartDrug Hunter, Team Leader Datascience, computational chemist @GalapagosNV
Similar User
@CDDLeiden
@ColeGroupNCL
@Chris_de_Graaf
@AnthonyC1Nash
@BZdrazil
@GJPvWesten
@JGBrandenburg
@suneel_bvs
@FrankNoeBerlin
@nathanbroon
@ChemITnerf
@DaemgenMarc
@pschwllr
@RecursionPharma
@MorganThomas263
1/ We @OctantBio are excited to help start the OpenADMET consortium, catalyzed by this grant from @ARPA_H! We will build open datasets, competitions and ultimately foundation models for small molecule PK and safety properties. In the 🧵👇, I'll describe the problem & our approach
Congrats, @fraser_lab! Up to $30M from @ARPA_H for AI-driven effort to speed drug discovery by mapping interactions that cause side effects, with @QBI_UCSF 's help. tiny.ucsf.edu/2oP8KT
BREAKING: The Nobel Prize in Chemistry has awarded one half to David Baker “for computational protein design” and the other half jointly to Demis Hassabis and John M. Jumper “for protein structure prediction.” Stay tuned for more #NobelPrize
Do you want to work at the interface of structural biology and #AI? We are #hiring Come to Paris for a @CNRS postdoc at @institutpasteur funded by @ERC_Research and co-supervised by @malletvincent Please RT!! #deeplearning #compbio More info here: research.pasteur.fr/b/vVT
PhD position available in my group: Structure-based drug design with focus on machine learning. Apply here: jobb.uu.se/details/?posit…
A vacancy for a PhD student in the lab. Join us and be part of Oncode Accelerator. Collaborate with @Radboud_Uni using artificial intelligence to understand small molecules mode of action with experimental validation. (oncodeaccelerator.nl) universiteitleiden.nl/vacatures/2024…
I am looking for an excellent postdoc candidate to work with me on the forefront of AI and physics based methods in early stage drug discovery. More information can be found on the university website: Postdoc AI and physics based drug discovery universiteitleiden.nl/vacatures/2024…
The registration for the 2024 Alchemistry workshop has opened. Please navigate to the event wiki: alchemistry.org/wiki/2024_Work…, and click the link under Registration.
Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells #SAR pubs.acs.org/doi/10.1021/ac… @OlivierBeqgn @LenselinkBart @mpastorPhI @GJPvWesten @CDDLeiden #JCIM Vol63 Issue17 #MachineLearning #DeepLearning
Just online: another chapter of my PhD thesis! 🥳 "Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells" tinyurl.com/mr2jj42u A collaboration between @CDDLeiden, @GRIB_Barcelona, @MarioNegriIRCCS and #SweTox.
Large-Scale Modeling of Sparse Protein #Kinase Activity Data #compchem pubs.acs.org/doi/10.1021/ac… @sohvi_luukkonen @GJPvWesten @LenselinkBart Vol63 Issue12 #JCIM #MachineLearning #deeplearning
The latest: Collaboration with Galapagos demonstrates multi-task ML models outperforming single-task models on a balanced sparse kinase dataset. Shown for D-MPNN (chemprop) + boosted tree (pyboost>xgboost) @sohvi_luukkonen @gjpvwesten and @LenselinkBart pubs.acs.org/doi/10.1021/ac…
Large-scale modelling of sparse kinase activity data ift.tt/oABa16z #chemrxiv_biochem
Inspired by the talk of @olexandr: "Neural Networks Learning Computational Chemistry", I also generated an image using DALL-E (same prompt as title of talk). #compchemGRC #compchem #StandWithUkraine️
We’re excited about this new binding prediction challenge. Please help spread the word! #SAMPLchallenges #compchem
We’re running a new binding challenge, involving predicting which compounds (out of about 45K) bind to a particular protein target: github.com/samplchallenge… Stage 2 will involve predicting IC50 values, and we will revisit the same target again later. RTs appreciated!
We’re running a new binding challenge, involving predicting which compounds (out of about 45K) bind to a particular protein target: github.com/samplchallenge… Stage 2 will involve predicting IC50 values, and we will revisit the same target again later. RTs appreciated!
Had a go with DALL-e2 from OpenAI! 1. A 3d render of Artificial intelligence performing drug discovery. The second was more for sentimental reasons: A 3d render of the Indonesian food at the International Conference on Chemical Structures. #2022ICCS @GJPvWesten @Willemjespers
Open: 5 PhD and 2 postdoc positions in cheminformatics and molecular simulations at University Vienna euraxess.ec.europa.eu/jobs/765239
We are looking for you! A team leader Molecular Modelling & Design, to further build and grow the team. Apply now: bit.ly/3rYyo2s #compchem #jobs
Data & Methods @ Vertex has a #cheminformatics opening - great opportunity to work on challenging problems on all disease programs in our portfolio, use fresh data, write code, apply M/L #DataScience #chemjobs vrtx.wd5.myworkdayjobs.com/en-US/vertex_c…
United States Trends
- 1. Thanksgiving 1,98 Mn posts
- 2. Bears 164 B posts
- 3. Eberflus 66,6 B posts
- 4. Caleb 68,2 B posts
- 5. Drew Lock 10,4 B posts
- 6. Overshown 3.717 posts
- 7. #CHIvsDET 15,4 B posts
- 8. #OnePride 16,3 B posts
- 9. Keenan Allen 7.304 posts
- 10. Thankful 623 B posts
- 11. Turkey 374 B posts
- 12. DJ Moore 5.348 posts
- 13. $VSG 8.965 posts
- 14. #NYGvsDAL 4.596 posts
- 15. Ben Johnson 4.879 posts
- 16. Gibbs 19,9 B posts
- 17. ARCANETOOZ 3.828 posts
- 18. Poles 7.417 posts
- 19. Jamo 5.978 posts
- 20. #Picksgiving 10,6 B posts
Who to follow
-
Computational Drug Discovery Leiden
@CDDLeiden -
Cole Group
@ColeGroupNCL -
Chris de Graaf
@Chris_de_Graaf -
Dr. Anthony Nash
@AnthonyC1Nash -
Barbara Zdrazil
@BZdrazil -
Gerard JP van Westen
@GJPvWesten -
Gerit Brandenburg
@JGBrandenburg -
Dr. Suneel Kumar BVS
@suneel_bvs -
Frank Noe
@FrankNoeBerlin -
Nathan Brown
@nathanbroon -
Esben Bjerrum bsky:[email protected]
@ChemITnerf -
Marc Dämgen
@DaemgenMarc -
Philippe Schwaller (he/him)
@pschwllr -
Recursion
@RecursionPharma -
Morgan Thomas
@MorganThomas263
Something went wrong.
Something went wrong.