Bayesian Optimization in Chemical Formulation: 2026 Guide

Reflections on 2024 Bio-ML Predictions: Generative Chemistry and Molecular Dynamics Challenges

The article reflects on the author's 2024 predictions about bio-ML (biological machine learning) from a 2026 perspective, focusing on genera

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chemAI

Fragmented References to ML Optimization Algorithms (Grafting, Shampoo, AdamW)

This is a fragmented, incomplete excerpt listing references to optimization algorithms in machine learning research. It mentions techniques

Extropic presents first pharmaceutical application for thermodynamic computing hardware with codon optimization

This paper from Extropic Corp. presents the first concrete pharmaceutical application mapped to thermodynamic hardware, focusing on energy-e

Automated machine-learning framework for predicting drug solubility in supercritical CO2 for sustainable process development

Review of C2026: Grand Challenges for Predictive Modeling in Drug Discovery

This blog post reviews the C2026 preprint (Grand Challenges for Predictive Modeling in Small Molecule Drug Discovery) published on ChemXriv.