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#drugdiscovery

4 posts4 participants0 posts today
RedRobot<p>Recent advancements in quantum computing promise breakthroughs in drug discovery, optimization, and encryption, with tech giants and startups racing to achieve quantum supremacy.Quantum computing, once a theoretical concept, is now making strides toward practical applications. ❤️ <a href="https://mastodon.social/tags/AI" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>AI</span></a> <a href="https://mastodon.social/tags/DrugDiscovery" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugDiscovery</span></a> <a href="https://mastodon.social/tags/encryption" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>encryption</span></a> <a href="https://mastodon.social/tags/Google" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Google</span></a> <a href="https://mastodon.social/tags/IBM" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>IBM</span></a> <a href="https://mastodon.social/tags/optimization" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>optimization</span></a> <a href="https://mastodon.social/tags/QuantumComputing" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>QuantumComputing</span></a> <a href="https://mastodon.social/tags/startups" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>startups</span></a> <a href="https://mastodon.social/tags/redrobot" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>redrobot</span></a> </p><p><a href="https://redrobot.online/2025/03/quantum-computing-edges-toward-practical-applications-in-medicine-and-ai/" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://</span><span class="ellipsis">redrobot.online/2025/03/quantu</span><span class="invisible">m-computing-edges-toward-practical-applications-in-medicine-and-ai/</span></a></p>
Stephan Hacker<p>Making better use of available data is an important way to make drug discovery more efficient.</p><p>In his <span class="h-card" translate="no"><a href="https://mstdn.science/@LED3hub" class="u-url mention" rel="nofollow noopener noreferrer" target="_blank">@<span>LED3hub</span></a></span> John Overington talked about the power of data to speed up the drug discovery process.</p><p><a href="https://mstdn.science/tags/chemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemistry</span></a> <a href="https://mstdn.science/tags/DrugDiscovery" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugDiscovery</span></a> <a href="https://mstdn.science/tags/ChemBio" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>ChemBio</span></a> <a href="https://mstdn.science/tags/DataScience" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DataScience</span></a><br>(1/9)</p>
Ken Hallenbeck<p>Presented without comment beyond: 💪 💪 </p><p><a href="https://pubs.acs.org/doi/full/10.1021/jacs.4c15966" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://</span><span class="ellipsis">pubs.acs.org/doi/full/10.1021/</span><span class="invisible">jacs.4c15966</span></a></p><p><a href="https://mastodon.online/tags/science" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>science</span></a> <a href="https://mastodon.online/tags/pharma" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>pharma</span></a> <a href="https://mastodon.online/tags/biotech" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>biotech</span></a> <a href="https://mastodon.online/tags/drugdiscovery" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>drugdiscovery</span></a> <a href="https://mastodon.online/tags/chemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemistry</span></a> <a href="https://mastodon.online/tags/publishing" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>publishing</span></a></p>
The Chemistry Development Kit<p>In "The Six Ds of Exponentials and drug discovery: A path toward reversing Eroom’s law" <a href="https://doi.org/10.1016/j.drudis.2025.104341" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://</span><span class="ellipsis">doi.org/10.1016/j.drudis.2025.</span><span class="invisible">104341</span></a></p><p>"however, software such as PaDEL and the Chemistry Development Kit (CDK) have emerged rapidly as free and powerful alternatives. Nowadays, many groups in both industry and academia rely on free cheminformatics resources, including multiple descriptors and ML tools offered by RDKit."</p><p><a href="https://fosstodon.org/tags/OpenScience" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>OpenScience</span></a> <a href="https://fosstodon.org/tags/Chemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Chemistry</span></a> <a href="https://fosstodon.org/tags/drugDiscovery" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>drugDiscovery</span></a></p>
RCNS MedChem Research Group<p>How do affinity and reactivity shape covalent target engagement? In our latest paper in J Med Chem, we show the distinct advantages of lead-like compounds vs. fragments in TCI design. <a href="https://mastodon.social/tags/CovalentDrugs" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>CovalentDrugs</span></a> <a href="https://mastodon.social/tags/MedicinalChemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>MedicinalChemistry</span></a> <a href="https://mastodon.social/tags/DrugDiscovery" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugDiscovery</span></a><br><a href="https://pubs.acs.org/doi/10.1021/acs.jmedchem.5c00017" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://</span><span class="ellipsis">pubs.acs.org/doi/10.1021/acs.j</span><span class="invisible">medchem.5c00017</span></a></p>
Ken Hallenbeck<p>Excited to share the first paper from my team at Merck. Sometimes, in vitro translation systems like mRNA display make mistakes - but does it happen often enough to matter?</p><p><a href="https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cbic.202500083" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://</span><span class="ellipsis">chemistry-europe.onlinelibrary</span><span class="invisible">.wiley.com/doi/10.1002/cbic.202500083</span></a></p><p>Yes, it does. We describe how you can measure and control the imperfections inherent to genetic reprogramming and IVT in order to design more effective screening libraries in your hunt for the next peptide drug.</p><p><a href="https://mastodon.online/tags/pharma" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>pharma</span></a> <a href="https://mastodon.online/tags/biotech" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>biotech</span></a> <a href="https://mastodon.online/tags/science" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>science</span></a> <a href="https://mastodon.online/tags/publishing" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>publishing</span></a> <a href="https://mastodon.online/tags/drugdiscovery" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>drugdiscovery</span></a> <a href="https://mastodon.online/tags/research" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>research</span></a></p>
Bose-Einstein-Kondensat<p>Customizable large-scale <a href="https://mstdn.social/tags/OpenSource" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>OpenSource</span></a> <a href="https://mstdn.social/tags/HPLC" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>HPLC</span></a> <a href="https://mstdn.social/tags/FractionCollector" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>FractionCollector</span></a> using low-cost <a href="https://mstdn.social/tags/3Dprinting" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>3Dprinting</span></a>:</p><p>-based on <a href="https://mstdn.social/tags/Creality" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Creality</span></a> <a href="https://mstdn.social/tags/Ender3Pro" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Ender3Pro</span></a><br>-cost &lt; US $280<br>-prep scale fractions: up to 470 mL<br>-<a href="https://mstdn.social/tags/Python" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Python</span></a>, <a href="https://mstdn.social/tags/GUI" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>GUI</span></a>, no-code</p><p><a href="https://doi.org/10.1016/j.ohx.2024.e00612" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://</span><span class="ellipsis">doi.org/10.1016/j.ohx.2024.e00</span><span class="invisible">612</span></a><br><a href="https://mstdn.social/tags/DIYbio" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DIYbio</span></a> <a href="https://mstdn.social/tags/lab" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>lab</span></a> <a href="https://mstdn.social/tags/instruments" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>instruments</span></a> <a href="https://mstdn.social/tags/LC" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>LC</span></a> <a href="https://mstdn.social/tags/fluidics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>fluidics</span></a> <a href="https://mstdn.social/tags/chemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemistry</span></a> <a href="https://mstdn.social/tags/DrugDiscovery" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugDiscovery</span></a></p>
OpenAnalytics<p><a href="https://fosstodon.org/tags/opensource" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>opensource</span></a> <a href="https://fosstodon.org/tags/rstats" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>rstats</span></a> pipeline and <a href="https://fosstodon.org/tags/shiny" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>shiny</span></a> app to build high-quality molecular databases and lay the data foundation for <a href="https://fosstodon.org/tags/ai" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>ai</span></a> models in medicinal chemistry.</p><p>🔗 Explore the article here: <a href="https://oa.eu/mk67B7" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://</span><span class="">oa.eu/mk67B7</span><span class="invisible"></span></a><br>💻 Try out the prototype of the customized app: <a href="https://oa.eu/9xzXlS" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://</span><span class="">oa.eu/9xzXlS</span><span class="invisible"></span></a></p><p><a href="https://fosstodon.org/tags/drugdiscovery" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>drugdiscovery</span></a> <a href="https://fosstodon.org/tags/moleculardatabase" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>moleculardatabase</span></a> <a href="https://fosstodon.org/tags/shiny" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>shiny</span></a></p>
Bytes Europe<p>Cancer Cells Cooperate to Obtain Nutrients from the Environment <a href="https://www.byteseu.com/760188/" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://www.</span><span class="">byteseu.com/760188/</span><span class="invisible"></span></a> <a href="https://pubeurope.com/tags/Cancer" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Cancer</span></a> <a href="https://pubeurope.com/tags/cancers" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>cancers</span></a> <a href="https://pubeurope.com/tags/CellBiology" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>CellBiology</span></a> <a href="https://pubeurope.com/tags/CellProliferation" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>CellProliferation</span></a> <a href="https://pubeurope.com/tags/DrugDiscovery" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugDiscovery</span></a> <a href="https://pubeurope.com/tags/environment" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>environment</span></a> <a href="https://pubeurope.com/tags/Featured" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Featured</span></a> <a href="https://pubeurope.com/tags/News" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>News</span></a> <a href="https://pubeurope.com/tags/Nutrition" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Nutrition</span></a> <a href="https://pubeurope.com/tags/topics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>topics</span></a> <a href="https://pubeurope.com/tags/TranslationalMedicine" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>TranslationalMedicine</span></a></p>
RSC_CICAG<p>SCI-RSC Workshop on Computational Tools for <a href="https://sciencemastodon.com/tags/DrugDiscovery" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugDiscovery</span></a> 2025, 8th April 2025, Leeds</p><p><a href="https://www.soci.org/events/fine-chemicals-group/2025/sci-rsc-workshop-on-computational-tools-for-drug-discovery-2025" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://www.</span><span class="ellipsis">soci.org/events/fine-chemicals</span><span class="invisible">-group/2025/sci-rsc-workshop-on-computational-tools-for-drug-discovery-2025</span></a></p><p><a href="https://sciencemastodon.com/tags/compchem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>compchem</span></a> <a href="https://sciencemastodon.com/tags/cheminformatics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>cheminformatics</span></a> <br>Early bird registration closing soon</p>
Beilstein-Institut<p>Starting TOMORROW 📅 February 13, 2025, at 🕒 5:00 PM CET: Online <a href="https://hessen.social/tags/BeilsteinTalk" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>BeilsteinTalk</span></a> “From drugs to <a href="https://hessen.social/tags/catalysts" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>catalysts</span></a>: Application of <a href="https://hessen.social/tags/boron" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>boron</span></a> <a href="https://hessen.social/tags/heterocycles" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>heterocycles</span></a>" with Dennis G. Hall, University of Alberta.</p><p>Participation is FREE! Just register 🔗 <a href="https://www.beilstein-institut.de/en/talks/organic-chemistry-application-of-boron-heterocycles/?M=y" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://www.</span><span class="ellipsis">beilstein-institut.de/en/talks</span><span class="invisible">/organic-chemistry-application-of-boron-heterocycles/?M=y</span></a></p><p><a href="https://hessen.social/tags/BoronHeterocycles" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>BoronHeterocycles</span></a> <a href="https://hessen.social/tags/HeterocyclicChemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>HeterocyclicChemistry</span></a> <a href="https://hessen.social/tags/MedicinalChemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>MedicinalChemistry</span></a> <a href="https://hessen.social/tags/DrugDiscovery" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugDiscovery</span></a> <a href="https://hessen.social/tags/BeilsteinTalks" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>BeilsteinTalks</span></a></p>
Beilstein-Institut<p>Coming up next week: Online <a href="https://hessen.social/tags/BeilsteinTalk" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>BeilsteinTalk</span></a> “From drugs to <a href="https://hessen.social/tags/catalysts" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>catalysts</span></a>: Application of <a href="https://hessen.social/tags/boron" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>boron</span></a> <a href="https://hessen.social/tags/heterocycles" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>heterocycles</span></a>" with Dennis G. Hall, University of Alberta.</p><p>Register for FREE! 🔗 <a href="https://www.beilstein-institut.de/en/talks/organic-chemistry-application-of-boron-heterocycles/?M=y" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://www.</span><span class="ellipsis">beilstein-institut.de/en/talks</span><span class="invisible">/organic-chemistry-application-of-boron-heterocycles/?M=y</span></a></p><p><a href="https://hessen.social/tags/BoronHeterocycles" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>BoronHeterocycles</span></a> <a href="https://hessen.social/tags/HeterocyclicChemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>HeterocyclicChemistry</span></a> <a href="https://hessen.social/tags/MedicinalChemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>MedicinalChemistry</span></a> <a href="https://hessen.social/tags/DrugDiscovery" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugDiscovery</span></a> <a href="https://hessen.social/tags/BeilsteinTalks" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>BeilsteinTalks</span></a></p>
Beilstein-Institut<p>Save the date: 📅 Feb. 13, 2025 🕒 5–6 pm CET: <br>Online <a href="https://hessen.social/tags/BeilsteinTalk" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>BeilsteinTalk</span></a> “From drugs to <a href="https://hessen.social/tags/catalysts" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>catalysts</span></a>: Application of <a href="https://hessen.social/tags/boron" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>boron</span></a> <a href="https://hessen.social/tags/heterocycles" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>heterocycles</span></a>" with Dennis G. Hall, University of Alberta.</p><p>Register for FREE! 🔗 <a href="https://www.beilstein-institut.de/en/talks/organic-chemistry-application-of-boron-heterocycles/?M=y" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://www.</span><span class="ellipsis">beilstein-institut.de/en/talks</span><span class="invisible">/organic-chemistry-application-of-boron-heterocycles/?M=y</span></a></p><p><a href="https://hessen.social/tags/BoronHeterocycles" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>BoronHeterocycles</span></a> <a href="https://hessen.social/tags/HeterocyclicChemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>HeterocyclicChemistry</span></a> <a href="https://hessen.social/tags/MedicinalChemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>MedicinalChemistry</span></a> <a href="https://hessen.social/tags/DrugDiscovery" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugDiscovery</span></a> <a href="https://hessen.social/tags/BeilsteinTalks" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>BeilsteinTalks</span></a></p>
RSC_CICAG<p>Still 3 days to submit Poster/Flash Talk abstracts for <span class="h-card" translate="no"><a href="https://sciencemastodon.com/@RSCBMCS" class="u-url mention" rel="nofollow noopener noreferrer" target="_blank">@<span>RSCBMCS</span></a></span> Conformation Design in <a href="https://sciencemastodon.com/tags/DrugDiscovery" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugDiscovery</span></a> conference on 3rd March! <a href="https://rscbmcs.org/events/conformationaldesign25/" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://</span><span class="ellipsis">rscbmcs.org/events/conformatio</span><span class="invisible">naldesign25/</span></a> <a href="https://sciencemastodon.com/tags/chemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemistry</span></a> <a href="https://sciencemastodon.com/tags/medicinalchemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>medicinalchemistry</span></a> <a href="https://sciencemastodon.com/tags/NMR" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>NMR</span></a> <a href="https://sciencemastodon.com/tags/computationalchemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>computationalchemistry</span></a> <a href="https://sciencemastodon.com/tags/biologists" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>biologists</span></a></p>
Stephan Hacker<p>Why are prodrugs so prevalent in drug discovery?</p><p>The <a href="https://mstdn.science/tags/AdvancesChemBio" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>AdvancesChemBio</span></a> by @gfg-chembio.bsky.social are off to a great start with an insightful workshop by Kurt Ritter addressing this topic.</p><p><a href="https://mstdn.science/tags/chemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemistry</span></a> <a href="https://mstdn.science/tags/ChemBio" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>ChemBio</span></a> <a href="https://mstdn.science/tags/DrugDiscovery" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugDiscovery</span></a> <a href="https://mstdn.science/tags/DrugDevelopment" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugDevelopment</span></a> (1/4)</p><p><a href="https://dechema.de/en/Events/2025/ChemBio+2025_+21__22_01_2025_+Frankfurt/Kurt+Ritter+Tutorial.html" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://</span><span class="ellipsis">dechema.de/en/Events/2025/Chem</span><span class="invisible">Bio+2025_+21__22_01_2025_+Frankfurt/Kurt+Ritter+Tutorial.html</span></a></p>
jobRxiv<p>Scientist (and Wet Lab Lead) in Drug Discovery </p><p>St. Jude Children's Research Hospital</p><p>Join the Quantum AI 4 Bio Lab at St. Jude to lead our wet-lab <a href="https://mas.to/tags/DrugDiscovery" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugDiscovery</span></a> efforts to validate our computationally identified hit &amp; lead compounds.</p><p>See the full job description on jobRxiv: <a href="https://jobrxiv.org/job/christoph-gorgullastjude-org-27778-scientist-and-wet-lab-lead-in-drug-disc" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://</span><span class="ellipsis">jobrxiv.org/job/christoph-gorg</span><span class="invisible">ullastjude-org-27778-scientist-and-wet-lab-lead-in-drug-disc</span></a>...<br><a href="https://jobrxiv.org/job/christoph-gorgullastjude-org-27778-scientist-and-wet-lab-lead-in-drug-discovery/?feed_id=91025" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://</span><span class="ellipsis">jobrxiv.org/job/christoph-gorg</span><span class="invisible">ullastjude-org-27778-scientist-and-wet-lab-lead-in-drug-discovery/?feed_id=91025</span></a></p>
Kohulan Rajan<p>New paper alert from the <span class="h-card" translate="no"><a href="https://nfdi.social/@steinbeck" class="u-url mention" rel="nofollow noopener noreferrer" target="_blank">@<span>steinbeck</span></a></span> <br>Lab!</p><p>Our COCONUT (COlleCtion of Open Natural prodUcTs) 2.0 paper is now officially online on NAR journal.</p><p>paper: <a href="https://academic.oup.com/nar/advance-article/doi/10.1093/nar/gkae1063/7908792" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://</span><span class="ellipsis">academic.oup.com/nar/advance-a</span><span class="invisible">rticle/doi/10.1093/nar/gkae1063/7908792</span></a></p><p><a href="https://mastodon.social/tags/NaturalProducts" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>NaturalProducts</span></a> <a href="https://mastodon.social/tags/OpenScience" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>OpenScience</span></a> <a href="https://mastodon.social/tags/ResearchTools" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>ResearchTools</span></a> <a href="https://mastodon.social/tags/DrugDiscovery" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugDiscovery</span></a> <a href="https://mastodon.social/tags/OpenSource" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>OpenSource</span></a></p>
michael<p>17-Oct-2024<br><a href="https://mastodon.social/tags/DrugDiscovery" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugDiscovery</span></a> within the patient<br>Genetic analysis of <a href="https://mastodon.social/tags/bacteria" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>bacteria</span></a> from <a href="https://mastodon.social/tags/humans" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>humans</span></a> and <a href="https://mastodon.social/tags/animals" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>animals</span></a> paves the way for new active ingredients</p><p><a href="https://www.eurekalert.org/news-releases/1061698" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://www.</span><span class="ellipsis">eurekalert.org/news-releases/1</span><span class="invisible">061698</span></a> <a href="https://mastodon.social/tags/science" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>science</span></a> <a href="https://mastodon.social/tags/ecology" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>ecology</span></a> <a href="https://mastodon.social/tags/microbiome" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>microbiome</span></a></p>
Christian Meesters<p>Years ago, I came across this editorial:</p><p><a href="https://molecularbrain.biomedcentral.com/articles/10.1186/s13041-020-0552-2" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://</span><span class="ellipsis">molecularbrain.biomedcentral.c</span><span class="invisible">om/articles/10.1186/s13041-020-0552-2</span></a></p><p>It has been highly praised for addressing the missing data issue in neurology research.</p><p>Today, I was looking for a statistical overview about papers on missing data in <a href="https://fediscience.org/tags/DrugDiscovery" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugDiscovery</span></a>. I did find some articles, however, none which provide some summary statistics of good <a href="https://fediscience.org/tags/DataProvenance" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DataProvenance</span></a> or bad in comparison, particularly the rate of non-available data. </p><p>Do you know any?</p><p>Boosts appreciated.</p><p><a href="https://fediscience.org/tags/DataManagement" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DataManagement</span></a> <a href="https://fediscience.org/tags/ReproducibleResearch" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>ReproducibleResearch</span></a></p>
Egon Willighagen<p>meanwhile, <span class="h-card" translate="no"><a href="https://wikis.world/@wdscholia" class="u-url mention" rel="nofollow noopener noreferrer" target="_blank">@<span>wdscholia</span></a></span> has a nice page with 38 articles about open source software AND drug discovery (using the /topics/ aspect): <a href="https://scholia.toolforge.org/topics/Q1418791,Q1130645" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://</span><span class="ellipsis">scholia.toolforge.org/topics/Q</span><span class="invisible">1418791,Q1130645</span></a></p><p>Is there a paper missing that you like to see added? <a href="https://social.edu.nl/tags/openScience" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>openScience</span></a> <a href="https://social.edu.nl/tags/drugDiscovery" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>drugDiscovery</span></a></p>
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