Deep MedChem develops AI-based tools for drug discovery that aim to streamline the early phases of the process, as self-described.

Deep MedChem

Deep MedChem | 1,662 followers on LinkedIn. We provide practical AI-based tools for drug development and medicinal chemistry. | Deep MedChem provides AI-tools for drug discovery and medicinal chemistry. 

Our unique molecular space representation allows for great speed up to many drug discovery tasks and we offer products that provide these.

CHEESE Search is a fast and scalable tool for searching very large chemical spaces.

𝙄 𝙝𝙚𝙡𝙥 𝙘𝙤𝙢𝙥𝙖𝙣𝙞𝙚𝙨 𝙩𝙤 𝙞𝙢𝙥𝙡𝙚𝙢𝙚𝙣𝙩 𝙖𝙣𝙙 𝙖𝙙𝙤𝙥𝙩 𝘼𝙄 🤖

Petr Popov

CTO and Co-Founder @ Deep MedChem

Miroslav Lžičař

Jiri Ruzicka

Announcing a newly refurbished product pages at Deep MedChem website! Includes main features, on-premise versions and product-specific services: 🔍 Search: Discover molecular similarities at unprecedented speed and scale: https://lnkd.in/e44dwxA3 🌌 Explorer: Interactively visualize and explore vast molecular spaces like never before. https://lnkd.in/e_4hR_HC 🚀Modeller: Achieve rapid and accurate molecular property predictions with advanced modeling tools. https://lnkd.in/eUcKfSud ⚡ Electrostatics: Quickly estimate and analyze molecular electrostatic potentials. https://lnkd.in/eUkRxqnU #cheese #deepmedchem #cheminformatics #artificialintelligence #ai #knime #drugdiscovery #biotech #machinelearning

In the latest edition of Deep MedChem Newsletter we summarize the latest updates from and about CHEESE Search: - new databases from eMolecules are now available in CHEESE Search - our technical pre-print about the CHEESE platform technology is on ChemRxiv and - a deep dive webinar on the CHEESE Search and the preprint on is coming on Nov 26th, 2024

Just recently, we published a preprint in ChemRxiv about the technical and performance details of CHEESE Search: CHEESE: 3D Shape and Electrostatic Virtual Screening in a Vector Space: Link to the preprint: https://lnkd.in/d5WjZ4BP We would like to take this opportunity and invite all interested experts in the fields of drug discovery, medicinal chemistry and others to a deep dive session on the preprint. The important part will be the Q&A session where we always enjoy very relevant and lively discussion. #DrugDiscovery #VirtualScreening #MolecularDesign #CHEESE #deepmedchem #AI #Biotech #MachineLearning

A publication preprint about CHEESE Search is out! We at Deep MedChem are excited to share our most recent publication about CHEESE Search—an innovative framework for 3D shape and electrostatic virtual screening, is now available as a preprint on ChemRxiv! 🎉 https://lnkd.in/dBW9K7_V As many of you know—CHEESE (CHEmical Embeddings Search Engine) transforms ligand-based virtual screening by reformulating molecular similarity as an approximate nearest neighbour search, harnessing the power of vector databases. Unlike traditional methods limited by computational intensity, CHEESE offers orders of magnitude improvements in both speed and cost, effectively balancing precision and efficiency. Our preprint demonstrates its state-of-the-art performance across benchmarks like DUD-E and LIT-PCBA, with CHEESE excelling in both lead identification and resource optimisation. If you’re passionate about advancing molecular screening, take a closer look at CHEESE and benefit from us pushing the boundaries of what's possible in drug discovery. Try CHEESE Search here: https://lnkd.in/dZmNPuvp We are happy to hear your feedback and provide you with more details and options on how to use CHEESE. Feel free to reach out to me! #DrugDiscovery #VirtualScreening #MolecularDesign #CHEESE #deepmedchem #AI #Biotech #MachineLearning

Jan Macek

Hello from Stockholm! 🙋♂️ 🇸🇪 We're attending BIO-Europe a key biotechnology event in Europe. You can meet our Jiri Fusek at booth no. 49 🤝 together with i&i Prague , SOTIO Biotech , i&i Biotech Fund , DIANA Biotechnologies , Bioinova, a.s. , IOCB Tech , Deep MedChem . And we were pleased to kick off the upcoming busy days by meeting with Kristýna Ronnestål from the Embassy of the Czech Republic in Stockholm today.

Prague.bio

We at Deep MedChem are working hard on making partnerships that bring value to our users. We are extremely proud to bring eMolecules to our platform by making eXplore datasets part of the molecular DBs accessible by CHEESE Search (go to https://lnkd.in/dZmNPuvp to test CHEESE Search yourself). This is a great addition to the datasets as you can see for yourself visually through the tool CHEESE Explorer which visualises the distribution of molecules for various datasets in 2D and 3D views. (go to https://lnkd.in/dMgDgxXz to test CHEESE Explorer yourself). As always, I am happy to hear your thoughts on this improvement! #cheese #deepmedchem #AI #VirtualScreening #DrugDiscovery #explore #Biotech #MachineLearning

We’re excited to announce that eMolecules ’ virtual library, eXplore is now integrated with Deep MedChem ’s CHEESE platform, expanding eXplore's availability to researchers. Researchers can now leverage CHEESE’s advanced computational tools, including 3D shape and electrostatics-based similarity search, to explore eXplore with unparalleled precision. This integration empowers chemists to efficiently explore the chemical space and accelerate their research, tailoring searches to their specific needs. 🧬✨ Learn more about how this partnership can accelerate your R&D efforts with more precise search results. Read More Here: https://lnkd.in/eY8ebSg3 #drugdiscovery #computationalchemistry #virtuallibrary #medicinalchemistry

eMolecules

We are happy to be part of the HICEE Startup Support Program and in the network of @EITInnostars. We look forward to growth opportunities and networking. 🤝 #HICEE , #Acceleration , #CHEESE , #Networking

On a crisp Friday morning, in an American city where knowledge has long been a prized currency, IOCB Prague - Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences launched its first lab overseas. IOCB Boston is now officially open. Catch a glimpse of the event before the official photos arrive! Director of IOCB Prague Jan Konvalinka is giving an opening speech:

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