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微软推出实验性多模态 AI 研究系统 Project Quine，有望大幅加速药物发现
IT之家 9 月 30 日消息，当地时间 29 日，微软研究院推出了实验性多模态 AI 研究系统 Project Quine。据悉，Project Quine 是一套 用于生物学研究的“世界模型” ，目标是把计算生物学建模与实际湿实验衔接起来。 Project Quine 由微软研究院与哈佛大学和麻…
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RetroDFM-R: Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Learning
用强化学习让大模型学会「讲道理」，逆合成预测从黑箱猜测走向可解释推理——AI驱动分子设计又进一步。
arXiv:2507.17448v2 Announce Type: replace-cross Abstract: Retrosynthetic planning is a cornerstone of organic synthesis and drug discovery. Yet existi…
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Designing a Robust LLM-Based Evaluation System for Agentic AI in Drug Discovery Through Human Alignment
药物发现遇上智能体，看LLM评估系统如何借人类对齐把关可靠性
arXiv:2608.21057v1 Announce Type: new Abstract: Agentic large language model (LLM) systems are reshaping scientific workflows in chemistry and drug di…
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EpiBench: Can LLMs Understand Epitopes for Antibody Drug Discovery?
大模型能读懂抗体表位吗？EpiBench基准测试给出答案，评估LLM在抗体药物发现中的理解力，聚焦AI+生物医药交叉前沿。
arXiv:2608.06022v1 Announce Type: new Abstract: Epitopes determine where antibodies bind antigens and shape downstream therapeutic properties such as …
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OpenAI researcher Miles Wang in talks to launch AI drug discovery startup valued at $2B
OpenAI核心研究员Miles Wang创业下场，AI药物发现新贵估值已达20亿美元，融资谈判正在进行中。
The funding discussions point to investor interest in applying AI to make breakthroughs in life sciences.
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Anthropic launches AI drug discovery program
Anthropic将Claude AI用于药物发现，加速新药研发进程，AI与生物医药结合再进一步。
Article URL: https://www.google.com/url?q=https://www.cnbc.com/2026/06/30/anthropic-launches-ai-drug-discovery-program-claude-science.html Comments UR…
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NVIDIA BioNeMo Agent Toolkit Brings Accelerated AI to Life Sciences Researchers in Claude Science
NVIDIA推出BioNeMo Agent Toolkit，结合Claude自然语言能力，为生命科学研究者提供加速AI工具，覆盖药物发现、基因组学等前沿领域。
Life sciences has entered an era of computational scale, and for more than a decade, NVIDIA has built the full GPU-accelerated computing stack — spann…
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RAGPPI: RAG Benchmark for Protein-Protein Interactions in Drug Discovery
首个专门针对药物发现中蛋白质-蛋白质相互作用的RAG基准，为AI辅助药物设计提供标准化评测框架。
arXiv:2505.23823v2 Announce Type: replace Abstract: Retrieving the biological impacts of protein-protein interactions (PPIs) is essential for target i…
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AI is taking on antibiotic resistance — here’s how
MIT教授因家人经历投身AI研究，用深度学习破解抗生素耐药难题，Nature深度报道展现技术改变医疗的惊人潜力。
Nature, Published online: 08 June 2026; doi:10.1038/d41586-026-01818-9 A suite of artificial-intelligence tools is helping to speed up the process of …
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Uncertainty-Calibrated Diffusion for Reliable 3D Molecular Graph Generation
新方法通过不确定性校准提升3D分子图生成的可靠性，有望推动药物发现与材料设计。
arXiv:2606.01595v1 Announce Type: new Abstract: Bayesian inference provides a principled framework for modeling epistemic uncertainty in neural networ…
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Probe Before You Edit: Probing-Guided Molecular Optimization for LLM Agents in Structure-Based Drug Design
提出Probe-guided策略优化LLM代理在药物分子设计中的编辑行为，提升基于结构的分子优化效果。
arXiv:2606.00555v1 Announce Type: new Abstract: Structure-based drug design increasingly employs LLM agents to iteratively refine ligands against a ta…
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SMolLM: Small Language Models Learn Small Molecular Grammar
小语言模型学会分子语法，高效生成药物分子候选，AI+化学新突破。
arXiv:2605.06322v2 Announce Type: replace Abstract: Language models for molecular design have scaled to hundreds of millions of parameters, yet how th…
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DrugSAGE:Self-evolving Agent Experience for Efficient State-of-the-Art Drug Discovery
自我进化的智能体记忆经验，大幅降低药物发现中SOTA模型搜索成本，革新AI驱动科研。
arXiv:2605.15461v1 Announce Type: cross Abstract: Building state-of-the-art (SOTA) predictive models for drug discovery requires expensive search over…
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SandboxAQ brings its drug discovery models to Claude — no PhD in computing required
SandboxAQ把药物发现模型搬进Claude，对话界面让科研门槛骤降，不用博士级算力也能搞分子研究。
Other venture-backed companies like Chai Discovery and Isomorphic Labs have raced to build better models. SandboxAQ is betting that access is the bigg…