#Drug Discovery

Articles (10)

• 🇺🇸 Inside a rare lab that's blazing a bold trail as it hunts for new drugs — 22/03/2026 [USA]

  A scientist from Zambia who loves — LOVES! — chemistry runs a lab in South Africa that is being hailed for "extraordinary" work.

  Related: #Scientific Innovation
• 🇺🇸 RetroReasoner: A Reasoning LLM for Strategic Retrosynthesis Prediction — 16/03/2026 [USA]

  arXiv:2603.12666v1 Announce Type: cross Abstract: Retrosynthesis prediction is a core task in organic synthesis that aims to predict reactants for a given product molecule. Traditionally, chemists se...

  Related: #AI Chemistry
• 🇬🇧 Bag containing cannabis and cash left in donation area at charity shop — 09/03/2026 [United Kingdom]

  Police in New Zealand have said a rucksack left in a donation area at a charity shop contained cannabis and more than $3,700 (£1,600) in cash.

  Related: #Charity Incident
• 🇺🇸 Reference-guided Policy Optimization for Molecular Optimization via LLM Reasoning — 09/03/2026 [USA]

  arXiv:2603.05900v1 Announce Type: cross Abstract: Large language models (LLMs) benefit substantially from supervised fine-tuning (SFT) and reinforcement learning with verifiable rewards (RLVR) in rea...

  Related: #AI in Science
• 🇺🇸 On the Reliability of AI Methods in Drug Discovery: Evaluation of Boltz-2 for Structure and Binding Affinity Prediction — 09/03/2026 [USA]

  arXiv:2603.05532v1 Announce Type: cross Abstract: Despite continuing hype about the role of AI in drug discovery, no "AI-discovered drugs" have so far received regulatory approval. Here we assess one...

  Related: #AI Reliability, #Protein Prediction
• 🇺🇸 FlexMS is a flexible framework for benchmarking deep learning-based mass spectrum prediction tools in metabolomics — 27/02/2026 [USA]

  arXiv:2602.22822v1 Announce Type: new Abstract: The identification and property prediction of chemical molecules is of central importance in the advancement of drug discovery and material science, wh...

  Related: #Artificial Intelligence, #Metabolomics, #Scientific Benchmarking
• 🇺🇸 IQVIA to acquire drug discovery assets from Charles River Labs — 25/02/2026 [USA] Related: #Corporate Acquisitions, #Life Sciences, #Strategic Growth
• 🇺🇸 Molecular Design beyond Training Data with Novel Extended Objective Functionals of Generative AI Models Driven by Quantum Annealing Computer — 18/02/2026 [USA]

  arXiv:2602.15451v1 Announce Type: cross Abstract: Deep generative modeling to stochastically design small molecules is an emerging technology for accelerating drug discovery and development. However,...

  Related: #Generative AI, #Quantum Annealing, #Molecular Design, #Optimization
• 🇺🇸 scDFM: Distributional Flow Matching Model for Robust Single-Cell Perturbation Prediction — 10/02/2026 [USA]

  arXiv:2602.07103v1 Announce Type: cross Abstract: A central goal in systems biology and drug discovery is to predict the transcriptional response of cells to perturbations. This task is challenging d...

  Related: #Machine Learning, #Biotechnology
• 🇺🇸 AbFlow : End-to-end Paratope-Centric Antibody Design by Interaction Enhanced Flow Matching — 10/02/2026 [USA]

  arXiv:2602.07084v1 Announce Type: cross Abstract: Antigen-antibody binding is a critical process in the immune response. Although recent progress has advanced antibody design, current methods lack a ...

  Related: #Artificial Intelligence, #Biotechnology