Alice Capecchi

22 posts

Alice Capecchi

@AliceCapecchi

Cheminformatics Research Scientist @ExscientiaAI #DrugDiscovery #Cheminformatics

London, England Katılım Eylül 2020

80 Takip Edilen103 Takipçiler

Alice Capecchi@AliceCapecchi·5 Eyl

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

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Alice Capecchi@AliceCapecchi·31 Ağu

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!

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Johannes Morstein@mo_hannes·22 Kas

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 chemrxiv.org/engage/chemrxi…

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Angewandte Chemie@angew_chem·8 Kas

An Immunomodulatory Peptide Dendrimer Inspired from Glatiramer Acetate (Reymond) @reymondgroup @phnhcoch3 @AliceCapecchi @jrjrjlr @unibern onlinelibrary.wiley.com/doi/10.1002/an…

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Reymond Group@reymondgroup·21 Eki

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👉 tinyurl.com/he6z2czj

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Reymond Group@reymondgroup·18 Eki

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👉tinyurl.com/5yann3bu

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Alice Capecchi@AliceCapecchi·8 Eki

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

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Reymond Group@reymondgroup·28 Ağu

📢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 👉tinyurl.com/7pbtejcw @EuroMedChem @DCBPunibern #chemtwitter

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Reymond Group@reymondgroup·18 Ağu

Xingguang Cai @Geo16841482 from @reymondgroup will give a poster presentation during the #Peptide #Therapeutics Forum 2021 #ptf21 #unibas Poster Sessions👉 tinyurl.com/wf6krd8c Related paper👉 tinyurl.com/5pyjych3 @DCBPunibern #chemtwitter #LifeSciences #medchem #chembio

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Alice Capecchi@AliceCapecchi·22 Haz

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 pubs.rsc.org/en/content/art… Code: github.com/reymond-group/…

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Reymond Group@reymondgroup·21 Nis

Amazing to see our latest @ScienceAdvances publication (bit.ly/3ezR40P) featured on the front page of @cenmag! 🚀 Explore #RXNMapper using our demo: bit.ly/3ebbUDt. #compchem #ACSSpring2021

C&EN (Chemical & Engineering News)@cenmag

#MachineLearning software can now accurately track atoms from reactants to products without human help, according to researchers at #ACSSpring2021 ⚛️ ow.ly/1eHt50Es8R3

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Reymond Group@reymondgroup·8 Nis

Checkout our latest @ScienceAdvances publication (bit.ly/3t26d0B) 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

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Philippe Schwaller (he/him)@pschwllr

1/ Thrilled that our work on capturing and extracting the grammar/rules of chemical reactions without labelling is out in @ScienceAdvances! Article: advances.sciencemag.org/content/7/15/e… Blog: ibm.co/2Q0J3ct @Ben_Hoov @jrjrjlr @hen_str @teodorolaino @reymondgroup @IBMResearch

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Francesca Grisoni@fra_grisoni·25 Mar

Are you fascinated by the potential of #AI in #drugdiscovery? Check out our open PhD positions @TUeindhoven: - AI-assisted Medicinal Chemistry jobs.tue.nl/en/vacancy/phd… - AI for Chemical Biology jobs.tue.nl/en/vacancy/phd… Please RT! #MachineLearning #compchem

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Reymond Group@reymondgroup·18 Mar

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 doi.org/10.26434/chemr… Code: github.com/reymond-group/…

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Alice Capecchi@AliceCapecchi·11 Mar

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! tm.gdb.tools/map4/coconut_t… @DCBunibern @reymondgroup #FIMC2021 #GDChMedChem #Cheminformatics

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Reymond Group@reymondgroup·10 Şub

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: sciencedirect.com/science/articl… Thanks to @AliceCapecchi, @jrjrjlr! @DCBunibern, #Cheminformatics, #peptide, #drugdiscovery

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Reymond Group@reymondgroup·28 Oca

Check out our latest publication in @ChemicalScience! Scoring synthetic feasibility using #MachineLearning with CASP pubs.rsc.org/en/content/art… github: github.com/reymond-group/… @av_thakkar, @jrjrjlr, @DCBunibern and @AstraZeneca #compchem #chemistry #chemtwitter #opensource

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Reymond Group@reymondgroup·13 Eki

Check out Sven Bühlmann's GDBChEMBL publication in this #openaccess #ebook! Here's a link to his publication: frontiersin.org/articles/10.33…

José L Medina-Franco@difacquim

Check out the #openaccess Ebook "In Silico Methods for #DrugDesign and #drugdiscovery @FrontChemistry Many thanks to the co-editors and all the contributors. @talevial @pjballester @JJNaveja @carolinahortago @AdrianoAndrico @MLM_chemist @EckerGerhard @reymondgroup #LatinXchem

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Reymond Group@reymondgroup·1 Eki

Congratulations to Susanna for her recent article in @ChemCommun "Transfecting tissue models with CRISPR/Cas9 plasmid DNA using peptide dendrimers" paper: rsc.li/3cMspEC @DCBunibern #RealTimeChem #CRISPR #ChemTwitter

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Reymond Group@reymondgroup·1 Eki

If you're interested in a fast method for assessing synthetic accessibility check out Amol's new pre-print (@av_thakkar) pre-print: bit.ly/3l7N1dH code: bit.ly/33h6TVq @DCBunibern with @AstraZeneca #Cheminformatics #ChemTwitter #CompChem #MachineLearning

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Keşfet

@GDCh_Wifo @reymondgroup @DirkTrauner @phnhcoch3 @jrjrjlr @unibern @jcheminf @DCBPunibern