2 papers · ranked by Valyu relevance
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Chemistry curricula often separate “wet” experimental work from “dry” computation, yet modern discovery increasingly demands both. This Perspective offers an instructor-ready roadmap to train “hybrid chemists” within existing courses. We distill recent advances in machine learning, automation, and real-time analytics…
Richard Apodaca
Despite its widespread use, Simplified Molecular Input Line Entry System (SMILES) remains underspecified. The lack of a detailed specification encourages improvisation by software developers, complicates data standardization efforts, and undermines extension development. Balsa, a reformulation of SMILES, addresses…