I’m excited to share our latest preprint! Here we explore human in the loop approaches to learn molecular attractiveness (work w. Oh-hyeon Choung Marwin Segler Riccardo Vianello). Feedback from 35 chemists at Novartis was used to train ML models #compchem. 🧵[1/5] chemrxiv.org/engage/chemrxi…

At last: quantitative binding measurements with ligand-observed NMR. Transverse relaxation rates reflect weak binders practicalfragments.blogspot.com/2023/08/ligand… Magnetic Resonance News ACS Publications Bio & Med Chem Content

Eager to start an independent organic chemistry research group with creative ideas, a dynamic team and at "the life quality capital of the world"? Then #Vienna University of Vienna STEM is calling! Apply for our Tenure Track Position in Organic Chemistry now timeshighereducation.com/unijobs/listin…

Varnek of - receives 2024 #Skolnik "for his contributions to the development of #chemoinformatics #education & training and his contributions to methodologies for #molecular representations and #modeling of small #molecules & #reactions" American Chemical Society Rajarshi Guha (@[email protected])

Join Dr. Dmytro Radchenko on September 20th, 11:30 - 12:00 CET at the 12th RDKit UGM 2023. Don't miss a chance to learn about 'Fragment-based substructure search in Enamine REAL Space' and other Drug Discovery research trends from Enamine. Event details: github.com/rdkit/UGM_2023…

Deutsche Bahn delays sometimes bring joy ;) Look who I ran into today on an ICE northbound train: Great pleasure to have chatted about good & bad, happy and sad. Best of luck in #Frankfurt, Enamine Ltd 🇺🇦 and Ivan Kondratov 🤗

We and CrystalsFirst are excited to connect with you at EFMC-ISCB as your partners in the journey of efficient exploration of the chemical space. Looking forward to the in-person discussions with you in Basel! #CADD #compchem #medchem #SBDD #FBDD #crystallography

I will finally return to the US 🇺🇸 for a #BAGIM +reception next week in #Boston. :) Pls. RT Dec 5th , 5.45PM Nimbus Tx, 22 Boston Wharf Rd., Floor 9, Boston A joy to see you there 🤗 BioSolveIT Enamine Ltd 🇺🇦 EnamineStore WuXi AppTec   meetu.ps/e/MDZg7/QptV6/i

Don't miss the chance to join us tomorrow at the BAGIM event, where our partner from BioSolveIT, Marcus Gastreich, will give a talk about the best-in-class chemical space exploration utilities! meetup.com/boston-area-gr… #EnamineREAL #BiosolveIT

Enamine and BioSolveIT join forces in an exclusive partnership to spark a new era of drug discovery and establish the world's most comprehensive chemical space exploration platform. Expect unprecedented benefits for drug hunters worldwide. Learn more: enamine.net/news-press-rel…

Come by and get in touch with Beatriz Büschbell and Marcus Gastreich at the Alpine Winter Conference on Medicinal and Synthetic Chemistry in Sankt Anton. BioSolveIT brings you to new heights and empowers you to explore compound numbers as vast as the snowflakes gracing the Alps.

In our novel weekly series "A Gaze into Chemical Space" we embark on a journey through trillion-sized compound collections to uncover their possibilities. Using infiniSee's modes we examine chemistry from diverse similarity perspectives. 1/2 #medchem #compchem #drugdiscovery

Amination of heterocycles with naked nickel, now in ChemRxiv by Rakan Saeb and Bryan B. chemrxiv.org/engage/chemrxi…

Just sayin'… Ms Filomena P and myself will be at the #Hatfield meeting next week — you too? #MedChemSymp24 BioSolveIT

Hold onto your seats because our next webinar is a wild card! In 'What The Drug!?' we do a on-hands session on a drug discovery challenge that is revealed at the beginning of the stream. No script, no preparations. Tune in: June 13 at 4 pm (CEST)! biosolveit.de/webinar/what-t…

Watch, discuss and question live while we throw ourselves into cold water… (today, 4PM Berlin time) A new format for #drug #discovery #brainstorms: biosolveit.de/webinar/what-t… #PDB BioSolveIT #MedicinalChemistry #kinases #gpcr #chemistry

BioSolveIT x eMolecules workshop in Boston (September 25, 2024) on: 🔹 1️⃣ Kinase inhibitor design 🔹 2️⃣ Fragment-based drug discovery 🔹 3️⃣ Scaffold hopping 🔹 4️⃣ PROTACs 🔹 5️⃣ Chemical Space Docking™ biosolveit.de/2024/08/12/exp… #compchem #medchem #FBDD

Filled with #Vorfreude for #EFMCISMC24 in the eternal city #Roma 🇮🇹 See you all there, #drug hunters! Oh… and expect news from BioSolveIT ✨ #Medicinal #Chemistry

Excited to co-organize the virtual EACR Boehringer Ingelheim Conference: Drugging & Regulating the MAP Kinase Pathway! Submit an abstract or join us. Please RT and share with others. Details & registration: eacr.org/conference/boe…

We are thrilled to invite you to our joint webinar with BioSolveIT, where we will explore the architecture and setup of the xREAL Space. Alongside insights into its synthesis-oriented operational framework, the session will highlight advanced methods that go beyond basic web