Text-to-molecule generation is typically formulated as a one-shot sequence generation problem, where a model directly maps target descriptions to molecular representations. However, molecular descriptions often contain informative structural constraints, and violating such constraints can change the molecular identity. This makes chemical verification and error correction important but underexplored. To fill this gap, we propose MolGVR, a chemistry-grounded Generator--Verifier--Refiner framework. The Generator infers structural evidence and generates candidate molecules. The Verifier addresses the lack of chemical validation by converting descriptions into chemical constraints and checking candidates against them. The Refiner addresses generation failures by revising candidates rejected by the Verifier. Experiments on ChEBI-20 and PCDes show that MolGVR improves exact-match performance. These results suggest that coupling generation with executable verification and feedback-guided refinement is an effective way to improve text-to-molecule generation.
Complex knowledge base question answering (KBQA) is commonly approached through either information retrieval over a question-specific subgraph or semantic parsing into an executable logical form. We study the latter paradigm. Recent large language model agents make semantic parsi…
Current molecular generation benchmarks emphasize task complexity, molecule novelty, and property alignment; they largely overlook a critical concern: the potential safety risks of AI-generated molecules. In practice, many generative models may produce molecules with toxic, react…
Three-dimensional (3D) molecule generation has been dominated by diffusion models, which achieve strong generation quality but typically require the molecular size to be specified a priori. Recent autoregressive approaches have substantially narrowed the performance gap while nat…
Generative artificial intelligence is moving from general-purpose experimentation toward specialized applications across banking, capital markets, insurance, payments, and wealth management. Its main contribution is not limited to conversational interfaces. Modern generative syst…
We present SynLaD, a latent diffusion framework for small-molecule generation that unifies ligand-based drug design objectives (what to make) with synthetic accessibility (how to make it). Current models typically optimize one objective at the expense of the other, creating a bot…
Drug discovery and development is time-consuming and resource-intensive, motivating computational approaches such as diffusion models for de novo drug design. Many such models follow the structure-based drug design (SBDD) paradigm, generating molecules to fit a target binding poc…