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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 01/09/2026

Register now for the C-CAS Semiannual Meeting Series! Link here: airtable.com/appfLdM8jNP1... #chemistry #datachemistry #nsf #chemsky

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 25/08/2026

C-CAS is representing at the poster session! Check out these posters at 6:00 tonight! #chemistry #ACSFall2026 #ACSChicago #ACS #datachemistry

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 25/08/2026

Check out this talk from Madhusha Manna Peruma in the Karunananda group today at 5:20! #chemistry #ACSFall2026 #ACSChicago #ACS #datachemistry

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 25/08/2026

Lilianna Kocai and Skylor Seetaram from the Saint-Louis lab are presenting today at #ACSChicago. Be sure to check them out! #chemistry #ACSFall2026 #ACSChicago #ACS #datachemistry

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 25/08/2026

Attending the poster session tonight at #ACSChicago? Check out these posters from C-CAS members! #chemistry #ACSFall2026 #ACS #datachemistry

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 14/08/2026

Want to learn more about current research in #datachemistry? Join us Mondays at 12PM on zoom for presentations featuring projects from C-CAS members and industry partners! Link to register: airtable.com/appfLdM8jNP1...

Text reads: NSF Center for Computer Assisted Synthesis Semi-Annual Meeting

Join us Mondays at 12PM ET for presentations by C-CAS and DCN researchers as well as from our industrial partners.

Starting September 14, 2026
Virtually on Zoom

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 14/08/2026

Congratulations to Dr. Congratulations to Dr. Wei Wang on receiving the Innovation award from the Association for Computer Machinery!! This award recognizes individuals with outstanding contributions to knowledge discovery and data mining. www.cs.ucla.edu/cs-professor... #datachemistry #ccas

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 10/06/2026

☀️ Please join us in welcoming the C-CAS 2026 Summer Undergraduate Research Fellows ☀️ These 36 talented students are currently engaging in research projects over across C-CAS institutions and will present the results of their work to the Center at the end of the summer.

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 26/03/2026

Don't miss this talk by Qintao Jia (Toledo lab) today at 10:15AM! Talk title: Exploring the formation of high-valent Ni(III) intermediate via direct O2 activation by a biomimetic model of nickel acireductone dioxygenase (ARD) Location: Georgia World Congress Center B212

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 25/03/2026

Check out Quentin Rappa's (Navarro lab) poster at the Cross Coupling Reactions poster session today! Poster title: Progress towards the enantioselective decarboxylative allylation and cyclopropanation of phthalides B3/B4 - EXHIBIT HALL 6 - 8 PM #chemistry #chemsky #datachem #ACS #ACSspring2026

Flyer with photo of speaker and talk information. Talk information can also be found in the main text of the post

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 25/03/2026

Want to learn more about natural products? Check out this talk by Dr. Sarah Reisman today at 4:05 PM! Talk title: Necessity is the mother of Invention: Natural products and the chemistry they inspire Location: Georgia World Congress Center B217 #chemistry #datachem #ACS #ACSspring2026 #chemsky

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 25/03/2026

Dr. Olexandr Isayev @olexandr.bsky.social is presenting today at #ACS! Check out the details below: Talk title: Accelerating design of organic materials with autonomous AI agents Location: Marriott Marquis International 8 Time: 4PM #chemistry #datachem #ACSspring2026 #chemsky

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 25/03/2026

Don’t miss this presentation from Dr. Carl Saint Louis at #ACS today! Title: Pro-fluorescent ethynylthiophene-based O-nitrobenzyl photolabile protecting group for hydroxamic acid synthesis Location: Georgia World Congress Center B218 Time: 3:40PM #chemistry #chemsky #datachem #ACSspring2026

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 25/03/2026

Start your Wednesday off at #ACS with a talk by Dr. Raul Navarro! Talk title: Regiodivergent Pd-catalyzed decarboxylative coupling reactions Location: Georgia World Congress Center B218 Time: 9:15 AM #chemistry #datachem #ACSspring2026

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 24/03/2026

Attending the photochemistry and electrochemistry poster session at #ACS? Check out these posters from the Saint-Louis lab! #chemistry #chemsky #datachem #ACSspring2026

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 24/03/2026

Don't miss this talk from Dr. Matt Sigman at #ACSspring2026 today at 4:05PM! Title: Applying data science to organocatalytic reactions Location: Georgia World Congress Center B216 #chemistry #datachem #ACS #chemsky

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 24/03/2026

Missed his talk on Monday? Check out this presentation from Dr. Andre Isaacs @drdre4000.bsky.social today at 2:50 PM! Title: Art in science: A roadmap to confidence through creativity & communication Location: Georgia World Congress Center C210 #chemistry #chemsky #datachem #ACS #ACSspring2026

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 24/03/2026

Attending the "Total Synthesis of Complex Molecules" poster session? Cehck out this poster by Navarro lab student Diego Cavalie! Poster title: Oxidative dearomatization approach to access swerilactone a B3/B4 - EXHIBIT HALL, 12 - 2 PM #chemistry #datachem #ACS #ACSspring2026 #chemsky

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 24/03/2026

Interested in AI/ML in chemistry? Check out Simone Gallarati's talk today at 10:20AM at #ACSspring2026 Low-cost mechanism-informed features enable transferable enantioselectivity predictions and reaction optimization from sparse data Georgia World Congress Center B217 #chemistry #datachem #ACS

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 24/03/2026

Come see C-CAS trainee Nicholas Casetti's presentation today at ACS! Title: Reaction feasibility assessment of sigmatropic rearrangements with neural network potentials Georgia World Congress Center C203, 9:05 AM #chemsky #chemistry #datachem #ACS #ACSspring2026

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 24/03/2026

Interested in data chemistry? Come hear @olexandr.bsky.social talk about AIMNet2 today at 8:40AM! Talk title: AIMNet2: Foundation neural network potential for molecules and CADD-related tasks Location: Georgia World Congress Center C209 #chemistry #datachem #ACS #ACSspring2026 #chemsky

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 24/03/2026

Missed him yesterday? Check out this talk by Dr. Richmond Sarpong today at 8:10AM. Talk title: WWSD?: What would Stoltz do? Total syntheses inspired by Brian Stoltz Location: Georgia World Congress Center B216 #chemistry #chemsky #datachem #ACS #ACSspring2026

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 23/03/2026

Attending #ACSspring2026? Check out this talk by Suong Tran, PhD student in the Coley group at MIT. Time: 3:25 PM Location: Georgia World Congress Center C203 #chemistry #chemsky #datachem #ACS

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 23/03/2026

Dr. Olexandr Isayev @olexandr.bsky.social takes the stage at 2:45 PM today! Don't miss his talk on AI-driven autonomous systems for molecular discover! Location: Georgia World Congress Center B215 #chemistry #chemsky #datachem #ACS #ACSspring2026

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 23/03/2026

Attending the organic chemistry poster session today at #ACSspring2026? Check out these three posters from students in the lab of Dr. Andre Isaacs @drdre4000.bsky.social! #chemistry #chemsky #datachem #ACS

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 23/03/2026

Don't miss this talk by Dr. Raychelle Burks @drrubidium.bsky.social at 11:10 AM today! Location: Georgia World Congress Center B302 #chemistry #chemsky #datachem #ACS #ACSspring2026

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 23/03/2026

Missed his first talk? Check out this presentation by Dr. Matt Sigman at ACS today at 11AM. Location: Georgia World Congress Center B213 #chemistry #chemsky #datachem #ACS #ACSspring2026

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 23/03/2026

Make time for this one: @drdre4000.bsky.social is presenting today at ACS! Title: Beyond facts and figures: Bringing your whole self to science communication and pedagogy Georgia World Congress Center B302 9:15 AM #chemistry #chemsky #datachem #ACS #ACSspring2026

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 23/03/2026

Join us at ACS today to hear from C-CAS member Dr. Dean Toste presenting on supramolecular hosts as enzyme mimics Date: Monday, March 23 Time: 8:35 AM Location: Georgia World Congress Center B212 #chemistry #chemsky #datachem #ACS #ACSspring2026

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 22/03/2026

Want to learn about some exciting work from the lab of Dr. Dalia Biswas? Check out this poster presented by Andrew Fisher! B3/B4 - EXHIBIT HALL, 12 - 2 PM ET #chemistry #chemsky #datachem #ACS #ACSspring2026

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 22/03/2026

Don’t miss Dr. Matt Sigman speaking at ACS today, Sunday, March 22. Details below! Talk title: Combining data science and electroanalytical tools to develop cross-coupling reactions Time: 10:20 AM Location: Georgia World Congress Center B213 #chemistry #chemsky #datachem #ACS #ACSspring2026

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 22/03/2026

Attending ACS? Start your Sunday with a talk from Dr. Richmond Sarpong. Talk title: Strategies and methods for Chemical Synthesis Inspired by Complex molecules Location: Georgia World Congress Center B213 Date: Sunday, March 22 Time: 8:05 AM #chemistry #chemsky #datachem #ACS #ACSspring2026

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 30/01/2026

Applications to the C-CAS SURF program close TONIGHT at 11:59 PM PST. For more information, see our website ccas.nd.edu/outreach/sur... #summerresearch #REU #undergraduateresearch #chemistry #computerscience #science #stem #chemsky

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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 06/01/2026

C-CAS members had a blast at @pacifichem.bsky.social 🌊 Especially great to see our Data Chemist Network members getting together to talk science 🧪 #chemsky #pacifichem #pacificchem2025 #chemistry

Photo of six C-CAS members behind a banner reading "Pacifichem"

Photo of four C-CAS members in front of a scientific poster

Action shot of three C-CAS members engaged in conversation

Photo of five C-CAS members having breakfast together

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