Bill Gates says we've passed AI's danger thresholds. In a new interview, the billionaire philanthropist sounds an alarm on the urgency of getting our AI policies in order. The temperature is in the mid-80s, and the sky is incapable of being any more blue. The view from the Gates Ventures conference room overlooks the Carillon Point Marina, where a flotilla of expensive boats bob in the water, and across the lake to the Olympic Mountains that define the horizon. Because if the scene is placid, the messenger is not. Seated across from me at a conference room table, Bill Gates is rocking back and forth in his chair, totally animated. And the more he has to say--about the threats of terror or economic collapse or just losing control of our AI systems--the more agitated I find myself becoming, too. The philanthropist and former Microsoft CEO says he has been growing increasingly alarmed by the rate of change at which AI technology is advancing, especially since guardrails are not keeping pace. In a new essay published today, Gates argues that we have passed the points where multiple potential dangers should have been checked. "We've crossed the threshold in terms of [AI's] bio-capabilities, cyber-capabilities, psychosocial capabilities, job-market-destruction capabilities, and even the lack of control," he said in an interview with about his new memo "I'm just stunned at the lack of concern and discussion outside of the industry." In an effort to wake the world up to what he sees as a rapidly growing societal disrupter, the 70-year-old tech titan has begun sounding the alarm as a "shrill voice," both publicly with his new essay (the first of multiple he plans on the topic) and in meetings with the press, and privately in conversations with industry, government, and civil society leaders. And while Gates is calling attention to a number of issues, his warnings about the bio-capabilities of the current frontier models are especially chilling. "Any model that can make novel molecules should be monitored," he says.

Trending Now Look Up Mashable's Best: E-readers, robovacs, laptops, earbuds, smart home and more Say More Mashable Selects Mashable Voices Safety Net Creator Hub Versus Gift Ideas For Everyone On Your List Switch Off In My Bag All Series This innovation could help address both pollution and hunger. But would you eat one? Amanda Yeo is an Assistant Editor at Mashable, covering entertainment, culture, tech, science, and social good. Based in Australia, she writes about everything from video games and K-pop to movies and gadgets. Scientists have transformed PET plastic into nutritious edible cookies, an innovation that could help address both pollution and hunger in one fell swoop.

Researchers found that a metabolite produced by gut bacteria can weaken the barrier that protects the brain and promote changes associated with the cognitive disease. For years, scientists have known that the gut microbiome of people with Alzheimer's differs from that of healthy people. What remains unclear is whether these differences are a consequence of the disease, contribute to it, or simply accompany it. It is possible that part of the puzzle lies not in the gut bacteria themselves but in the molecules they produce, which end up circulating throughout the body. A team of scientists believes it has found one such molecule.

As generative AI captures public attention, a different kind of AI is reshaping drug discovery. Machine learning models are helping to compress decade-long timelines and cracking problems that were previously unsolvable. Designing and developing a new medicine is an expensive, failure-prone scientific challenge. A new drug can take many years to develop, at the cost of a significant investment. And even then, most possible candidates never reach the patient. For biologic medicines, therapies made from engineered proteins rather than synthetic chemistry (which are often used to treat conditions across most major acute and chronic diseases), the complexity is even greater.

Check your subscription status, update your details and more. Drug development must change too. In this New Scientist CoLab podcast, experts from global life sciences leader Cytiva explain the hidden, high-stakes science of purification that is required to close the gap between drug discovery and the pharmacy shelf. Artificial intelligence and big data are flooding discovery pipelines with high-potential drug candidates, but this rapid innovation has created a new challenge. Simply put, our capability to design miracle molecules is vastly outstripping our technology to mass-manufacture them safely for the global public.

Similarly sweet molecules may have jumpstarted life on Earth over 4 billion years ago. More information Adding us as a Preferred Source in Google by using this link indicates that you would like to see more of our content in Google News results. The molecular cloud is located about 27,000 light-years from Earth. Breakthroughs, discoveries, and DIY tips sent six days a week. By signing up, you confirm you are 16+, will receive newsletters and promotional content and agree to our Terms of Use and acknowledge the data practices in our Privacy Policy .

Aqueous solubility is a key property in early-stage drug discovery, but most predictive models merge physicochemical descriptors and molecular graph information into a single representation, obscuring whether a prediction is driven by global chemistry, molecular structure, or both. We present an additive deep-learning framework that keeps these two sources of information separate throughout training: physicochemical descriptors are encoded by a multilayer perceptron (the chemical branch) and molecular graph topology by a graph neural network (the structural branch), with the two outputs combined only at the prediction stage through an additive model with an optional multiplicative interaction. This design provides a direct decomposition of chemical and structural components that can be examined separately after training. Furthermore, pretraining on the larger AqSolDB dataset and fine-tuning on the smaller BigSolDB2 dataset substantially improve accuracy and reduce run-to-run variations, indicating generalizability of the learned features from the data-rich settings. We further interpret the fitted model using best linear projections of the branch outputs, molecule-level embedding summaries across solubility classes, and atom-level GNNExplainer masks aggregated over functional groups. These analyses show that the chemical branch aligns with familiar physicochemical descriptors, while the structural branch captures graph-topological and functional-group patterns associated with solubility. Across both datasets, the framework attains competitive predictive performance while making the distinct roles of chemical and structural information more transparent.

Scientific reasoning is an increasingly important capability of large language models, yet improving the robustness and efficiency of training such reasoning remains a key open challenge. We study this problem in instruction-based molecular optimization, where answer-only supervised fine-tuning (SFT) collapses multi-step reasoning and reinforcement learning with verifiable rewards (RLVR) suffers from sparse feedback. Reference-guided Policy Optimization (RePO) mitigates both by anchoring policy updates to dataset-provided references, but its effectiveness is tightly coupled to reference quality: weak or misaligned references impose a performance ceiling. To overcome this ceiling, we propose active reasoning, a paradigm in which the policy actively decides, on a per-instance basis, when to imitate a reference and when to reinforce its own discoveries, while continuously upgrading what it imitates. We instantiate this paradigm as Active Group Relative Policy Optimization (Active-GRPO), realized through two coupled mechanisms: active imitate-reinforce and active referencing. The former performs imitation learning when the reference still outperforms the policy's own candidates, and shifts to self-improvement via reinforcement learning once the policy has generated molecules that surpass the reference. The latter continuously upgrades the reference itself by replacing it with the best policy-generated candidate discovered so far, progressively raising the imitation target and ensuring that reference guidance remains informative--rather than restrictive--throughout training. Across TOMG-Bench MOLOPT, Active-GRPO improves average SR Sim from 0.0959 for GRPO and 0.1665 for RePO to 0.1773 under matched three-seed evaluation, with statistically significant gains on LogP, MR, and QED.

Masked Graph Autoencoders (MGAEs) have gained significant attention recently. Their proxy tasks typically involve random corruption of input graphs followed by reconstruction. However, in the molecular domain, two main issues arise: the predetermined mask ratio and reconstruction objectives can lead to suboptimal performance or negative transfer due to overly simplified or complex tasks, and these tasks may deviate from chemical priors. To tackle these challenges, we propose Dynamic and Chemical Constraints (DyCC) for MGAEs. This includes a masking strategy called GIBMS, which preserves essential semantic information during graph masking while adaptively adjusting the mask ratio and content for each molecule. Additionally, we introduce a Soft Label Generator (SLG) that reconstructs masked tokens as learnable prototypes (soft labels) rather than hard labels. These components adhere to chemical constraints and allow dynamic variation of proxy tasks during training. We integrate the model-agnostic DyCC into various MGAEs and conduct comprehensive experiments, demonstrating significant performance improvements. Our code is available at https://github.

Large language models (LLMs) have gained significant attention in chemistry. However, most existing datasets center on molecular-level property prediction and overlook the role of fine-grained functional group (FG) information. Incorporating FG-level data can provide valuable prior knowledge that links molecular structures with textual descriptions, which can be used to build more interpretable, structureaware LLMs for reasoning on molecule-related tasks. Moreover, LLMs can learn from such fine-grained information to uncover hidden relationships between specific functional groups and molecular properties, thereby advancing molecular design and drug discovery. Here, we introduce FGBench, a dataset comprising 625K molecular property reasoning problems with functional group information. Functional groups are precisely annotated and localized within the molecule, which ensures the dataset's interoperability, thereby facilitating further multimodal applications. FGBench includes both regression and classification tasks on 245 different functional groups across three categories for molecular property reasoning: (1) single functional group impacts, (2) multiple functional group interactions, and (3) direct molecular comparisons. In the benchmark of state-of-the-art LLMs on 7K curated data, the results indicate that current LLMs struggle with FG-level property reasoning, highlighting the need to enhance reasoning capabilities in LLMs for chemistry tasks. We anticipate that the methodology employed in FGBench to construct datasets with functional group-level information will serve as a foundational framework for generating new question-answer pairs, enabling LLMs to better understand fine-grained molecular structure-property relationships.