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energies and geometry optimization from pretrained neural potentials. ANI-2x and MACE-MPA-0. the GPU path runs ALCHEMI batched FIRE. on CPU it uses ASE. one bad SMILES returns null and the batch continues. github.com/NovoMCP/novomcp-nโ€ฆ #compchem #cheminformatics #drugdiscovery #opensource
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Bridging the gap between #targetdiscovery and autonomous chemistry pipelines is critical to the future of AI drug discovery, and Discovery on Target remains one of the premier events where the #drugdiscovery community tackles these challenges head-on. Don't miss Petrina Kamya, Ph.D. (Global Head of AI Platforms & VP, Insilico Medicine; President, Insilico Medicine Canada) as she presents: ๐Ÿ“ "Building Agentic AI Workflows for Drug Discovery: From LLM Tools to Autonomous Discovery Pipelines" Join us in Boston (Sept 28 - Oct 1) at the Sheraton Boston to see how autonomous agentic workflows inside Pharma.AI are streamlining target identification (PandaOmics) and de novo molecular generation (Chemistry42). ๐Ÿ‘‰ Details & Session Info: lnkd.in/p/gE8WYw6N
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XtalPi files first proprietary IND for KQTD-126, a gut-restricted pan-TRK inhibitor targeting chronic intestinal pain in IBS and IBD. Preclinical data showed >1,000:1 gut-to-blood exposure ratio, designed to avoid systemic neurological effects. #DrugDiscovery #Biotech #AI
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AI is speeding up drug discovery, yet hospices are still learning to use it wellโ€”and compliance rules are being rewritten fast. ๐Ÿงฌ Where should ethics catch up with innovation?ย  Tune in: bit.ly/4flIdyF #AIEthics #DrugDiscovery #Compliance
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Weโ€™re #hiring Research Associate/Senior Research Associate - Peptide at o2h Discovery. Seeking a Peptide Chemist skilled in peptide synthesis, purification & characterisation. ๐Ÿ“ Ahmedabad Apply via QR code. #PeptideChemistry #DrugDiscovery #AhmedabadJobs
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My bet on SI in biotech: the teams that learn most from failed experiments will compound fastest. Design โ†’ Make โ†’ Test โ†’ Learn. Where is the hardest bottleneck today: model quality, lab speed, or usable data? #DrugDiscovery #Superintelligence
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Could an AI-designed drug influence biological aging? Early data on rentosertib say it might but itโ€™s far too early to call it rejuvenation. #AI #DrugDiscovery #Aging
An AI-designed drug for chronic lung disease dramatically reversed the markers of biological aging in its first clinical trials. In a clinical trial published in Nature Biotechnology, scientists evaluating the drug rentosertib โ€” developed by generative artificial intelligence for idiopathic pulmonary fibrosis (IPF) โ€” discovered it also significantly lowered biological age. Evaluating blood-protein samples from 42 trial participants across six independent 'proteomic aging clocks,' the researchers observed a consistent shift toward younger biological profiles, with some models estimating a decline in biological age of up to several years. In contrast, patients receiving a placebo showed virtually no change or even slight increases in their biological aging markers over the 12-week study. While these results are highly promising, researchers caution that they are still preliminary. Because idiopathic pulmonary fibrosis is an age-related illness characterized by severe tissue damage and inflammation, it remains unclear whether rentosertib directly targets the aging process itself or if treating the underlying lung disease simply altered the specific blood proteins tracked by the aging clocks. Furthermore, because the trial was small and lasted only three months, scientists emphasize that larger, longer-term clinical studies are required to verify if these biological age reversals translate to lasting, tangible health benefits for patients. source: Insilico Medicine. (2026). Integration of proteomic aging clocks in a phase 2a clinical trial of rentosertib. Nature Biotechnology.
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Global Research Journal of Pharmaceutical, Drug Discovery GRJPDD Call for Research Paper Submissions Submit Your Manuscript: ucjournals.com/global-researโ€ฆ WhatsApp Inquiries: wa.me/+971551792927 #PharmaceuticalResearch #DrugDiscovery #PharmaceuticalSciences #Pharmacology #Medicinal
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๐Ÿ“ข Call for Submissions to the Special Issue: Imatinib (Glivec or Gleevec) and Other Anticancer Agents: Commemorative Issue in Honor of Dr. Jรผrg Zimmermann on the Occasion of His 70th Anniversary ๐Ÿ”— Link: brnw.ch/21x5Xi4 ๐Ÿ“Œ #Imatinib #DrugDiscovery #MedicinalChemistry
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Enveda Biosciences has raised $311M to advance its AI powered drug discovery platform and move nature derived medicines deeper into clinical development. More stories: theflashpointnow.com/categorโ€ฆ #Enveda #AI #DrugDiscovery #Biotechnology #HealthTech
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Explore advances in: โœ” AI-powered molecular design โœ” Target identification & validation โœ” Drug repurposing โœ” Clinical translation โœ” Next-generation therapeutic development ๐ŸŒ ai-medicalcongress.com/ #AIIM2027 #DrugDiscovery #GenerativeAI #LLMs
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๐Ÿš€ย ๐’๐“๐€๐‘๐“๐ˆ๐๐† ๐“๐Ž๐ƒ๐€๐˜ ๐„๐•๐„๐๐ˆ๐๐† ๐ˆ๐’๐“.. ๐ƒ๐Ž๐'๐“ ๐Œ๐ˆ๐’๐’ ๐ˆ๐“. .๐‰๐Ž๐ˆ๐ ๐๐Ž๐–.. ๐Ÿ”— ๐‡๐จ๐ฐ ๐ญ๐จ ๐‘๐ž๐ ๐ข๐ฌ๐ญ๐ž๐ซ:ย lnkd.in/g3WRarxg #NetworkPharmacology #Bioinformatics #DrugDiscovery #MolecularDocking #biotechnology
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open: the whole engine. tools, compute wrappers, models, surfaces, audit. closed by design: FAVES, the certified compliance service, and FEP. the boundary is deliberate and documented. github.com/NovoMCP/novomcp #compchem #cheminformatics #drugdiscovery #opensource
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Give us 10 minutes and we'll show you how Digital Transformation with AI and Automation can change your drug discovery operations. bit.ly/4blEtN6 #DrugDiscovery #DigitalTransformation #AI #automation.
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alvaBuilder is featured in a new @Cancers_MDPI review on AI and big data in cancer drug discovery, among tools for iterative compound-library screening and generation. Great to see our work included! doi.org/10.3390/cancers18182โ€ฆ #DrugDiscovery #MolecularDesign #QSAR
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