Alice Capecchi

Cheminformatics Research Scientist @ExscientiaAI #DrugDiscovery #Cheminformatics

[Alice Capecchi @AliceCapecchi]

I enjoyed presenting @ExscientiaAI’s work on #Automated #MachineLearning analysis of HTS results at @GDCh_Wifo. We showed how as part of our #DrugDiscovery pipeline, we build an ad hoc #Bayesian model and use multi-parameter optimisation to pick the best compounds to retest

[Alice Capecchi @AliceCapecchi]

I’m looking forward to presenting at @GDCh_Wifo with a poster on using #Bayesian models and multi-parameter optimisation to analyse HTS results. A great example of @ExscientiaAI using #MachineLearning to #Automate #DrugDiscovery!

[Johannes Morstein @mo_hannes]

Why are lipids common in natural products and how could probes and pharmacophores benefit from this conjugation? Very excited to share our systematic study on lipid conjugation of small molecules. @AliceCapecchi @Konstan44550558 @reymondgroup @DirkTrauner
https://t.co/BReQ2kjeTS

[Angewandte Chemie @angew_chem]

An Immunomodulatory Peptide Dendrimer Inspired from Glatiramer Acetate (Reymond) @reymondgroup @phnhcoch3 @AliceCapecchi @jrjrjlr @unibern https://t.co/kiNbNVXFcy

[Reymond Group @reymondgroup]

Our work on distinguishing between natural products from plants, fungi, and bacteria using COCONUT, #machinelearning, and chemical space mapping is now published @jcheminf! @reymondgroup @jrjrjlr @AliceCapecchi #chemtwitter @DCBPunibern
Check the article👉 https://t.co/Lym5M5THEx

[Reymond Group @reymondgroup]

Check our latest paper @angew_chem publication (Dina Erzina @phnhcoch3, @AliceCapecchi, Sacha Javor, @jrjrjlr) to see the first example of an #immunomodulatory molecule designed as an analog of #Glatiramer acetate! @DCBPunibern @reymondgroup #chemtwitter👉https://t.co/6Wm2tY6wPe

[Alice Capecchi @AliceCapecchi]

Thanks a lot @pschwllr! It was an incredible experience

[Philippe Schwaller (he/him) @pschwllr]

Congrats, Dr. Capecchi!!
@AliceCapecchi defended her PhD at @DCBunibern.
She presented all her excellent work on #MAP4 fingerprints, classification of natural products and de novo design of antimicrobial peptides. Very well deserved! 💯
#compchem #AI4NP
@reymondgroup @unibern

[Reymond Group @reymondgroup]

📢The #EFMC_ISMC2021 begins this Sunday! Expect a great talk from our group @reymondgroup @AlineCarrel about the topic: Synthesis of New Building Blocks from the Chemical Universe Database GDB!
📅Tuesday August 31
👉https://t.co/dG1yAsJTbf
@EuroMedChem @DCBPunibern #chemtwitter

[Reymond Group @reymondgroup]

Xingguang Cai @Geo16841482 from @reymondgroup will give a poster presentation during the #Peptide #Therapeutics Forum 2021 #ptf21 #unibas
Poster Sessions👉 https://t.co/AmcH326uM2
Related paper👉 https://t.co/EC5pwjHVVU
@DCBPunibern #chemtwitter #LifeSciences #medchem #chembio

[Alice Capecchi @AliceCapecchi]

Our work on discovering novel non hemolytic antimicrobial peptides with machine learning is now published!

[Reymond Group @reymondgroup]

Machine learning unveils novel non-hemolytic antimicrobial peptides against P. aeruginosa, A. baumannii, and MRSA. It's now published in @ChemicalScience!

#compchem #peptide @AliceCapecchi @jrjrjlr @reymondgroup @DCBunibern

https://t.co/LLTDLh1e3x
Code: https://t.co/ssC7YzbgB3

[Reymond Group @reymondgroup]

Amazing to see our latest @ScienceAdvances publication (https://t.co/abCCxtnzVg) featured on the front page of @cenmag! 🚀

Explore #RXNMapper using our demo: https://t.co/zMI32a5M31.
#compchem #ACSSpring2021

[Reymond Group @reymondgroup]

Checkout our latest @ScienceAdvances publication (https://t.co/wOsrTywNdE) and the thread by Philippe (@pschwllr), who just finished his PhD at @unibern!

How would you, for example, atom-map the following semipinacol rearrangement?
@DCBunibern #compchem #ChemTwitter

[Francesca Grisoni @fra_grisoni]

Are you fascinated by the potential of #AI in #drugdiscovery? Check out our open PhD positions @TUeindhoven:
- AI-assisted Medicinal Chemistry https://t.co/HqF7e0DweN
- AI for Chemical Biology https://t.co/8bPnfghi3L

Please RT! #MachineLearning #compchem

[Reymond Group @reymondgroup]

Check out our preprint on using machine learning to discover novel, non-hemolytic, antimicrobial peptides against P. aeruginosa, A. baumannii, and MRSA! #compchem #peptide @AliceCapecchi @jrjrjlr @reymondgroup @DCBunibern

https://t.co/f7llkB5qhn

Code: https://t.co/ssC7YzbgB3

[Alice Capecchi @AliceCapecchi]

Check out my analysis of the natural products found in the COCONUT database!

[Reymond Group @reymondgroup]

Congratulations @AliceCapecchi for winning the ACS poster prize at this year's GDCh Medicinal Chemistry Congress!
The interactive TMAP is also very nice!

https://t.co/xi5OiD9xdm

@DCBunibern @reymondgroup #FIMC2021 #GDChMedChem #Cheminformatics

[Reymond Group @reymondgroup]

Have a look at this interesting review on today's in-silico methods to obtain bioactive peptides and how to cope with peptides' vast chemical space:

https://t.co/0ZZfmUVpeB

Thanks to @AliceCapecchi, @jrjrjlr!
@DCBunibern, #Cheminformatics, #peptide, #drugdiscovery

[Reymond Group @reymondgroup]

Check out our latest publication in @ChemicalScience!

Scoring synthetic feasibility using #MachineLearning with CASP

https://t.co/UsdHvslpwu

github:
https://t.co/gsInMRFDCm

@av_thakkar, @jrjrjlr, @DCBunibern and @AstraZeneca

#compchem #chemistry #chemtwitter #opensource

[Reymond Group @reymondgroup]

Check out Sven Bühlmann's GDBChEMBL publication in this #openaccess #ebook!

Here's a link to his publication: https://t.co/SOXjxVzWgO

[Reymond Group @reymondgroup]

Congratulations to Susanna for her recent article in @ChemCommun

"Transfecting tissue models with CRISPR/Cas9 plasmid DNA using peptide dendrimers"

paper: https://t.co/JZoJFZecQG

@DCBunibern

#RealTimeChem #CRISPR #ChemTwitter

[Reymond Group @reymondgroup]

If you're interested in a fast method for assessing synthetic accessibility check out Amol's new pre-print (@av_thakkar)

pre-print: https://t.co/4MH3fZnGFg
code: https://t.co/cP9kT7tkba

@DCBunibern with @AstraZeneca

#Cheminformatics #ChemTwitter #CompChem #MachineLearning