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Advances in the self-organized total synthesis of natural products
Published: October 8, 2024 10:00
Natural product total synthesis has trailblazed in the era of multistep synthesis. The strategic application of existing synthetic methodologies and the stepwise construction that revolves around newly developed, tailored key steps, are two basic tactics…
Web-BO: towards increased accessibility of Bayesian optimisation (BO) for chemistry
Published: September 30, 2024 10:00
Historically, the chemical discovery process has predominantly been a matter of trial-and-improvement, where small modifications are made to a chemical system, guided by chemical knowledge, with the aim of optimising towards a target property or…
Polypharmacological Drug Design Guided by Integrating Phenotypic and Restricted Fragment Docking Strategies
Published: September 19, 2024 10:00
Polypharmacological drugs are of great value for treating complex human diseases by the combinative modulation of several biological targets. However, multitarget drug design with more than two targets is challenging and generally discovered by…