Center for Algorithmic and Robotized Synthesis> 인공지능 및 로봇기반 합성 연구단

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IBS appoints a New Director IBS appoints world-renowned chemist Bartosz GRZYBOWSKI as the new Director

The Capacity of AI AI supercharges Fentanyl production and distribution, study finds.

AlphaFold2 can predict<br>single-mutation effects image

AlphaFold2 can predict
single-mutation effects These findings suggest that AF can predict the range and magnitude of single-mutation effects on average, and we propose a method to improve precision of AF predictions and to indicate when predictions are unreliable. [Phys. Rev. Lett. 131, 218401(2023)]

Computational prediction of complex cationic rearrangement outcomes image

Computational prediction of complex cationic rearrangement outcomes The algorithm we describe and deploy at https://HopCat.allchemy.net/ generates, within minutes, networks of possible mechanistic steps, traces plausible step sequences and calculates expected product distributions. [Nature. 625, 508-515(2024)]

Delocalized, Asynchronous, Closed-loop Discovery of Organic Laser Emitters image

Delocalized, Asynchronous, Closed-loop Discovery of Organic Laser Emitters Addressing a frontier challenge in molecular optoelectronics, this work demonstrates a blueprint for decentralized (molecular) discovery in the age of AI. [Science, 384, 6697(2024)]

Computational synthesis design for controlled degradation and revalorization image

Computational synthesis design for controlled degradation and revalorization This algorithm uses a broad knowledge-base of degradative and related reactions and applies them to arbitrary small-molecule feeds to generate large synthetic networks within which it then traces degradative pathways that are chemically sound and lead to value-added products. [Nature Synthesis, 3, 643-654(2024)]

Light-driven Chemical Robots In summary, we showed that variety of parts spanning four orders in magnitude in size can be rapidly and precisely manipulated by low-power light if placed onto a liquid supporting localized heating and strong thermocapillary flows. [Advanced Science, 2402263(2024)]

Can chemical AI help solve<br>the fentanyl crisis? image

Can chemical AI help solve
the fentanyl crisis? The technology might thwart illicit production—or it could provide bad actors with untraceable, scalable routes of the synthetic opioid. Paper in Chem`s Catalyst analyzing how chemical AI may help limit fentanyl production featured on C&EN news article.

Center for Algorithmic and Robotized Synthesis Welcome to the Center of Algorithmic and Robotized Synthesis, CARS, where algorithms and robots guide chemical synthesis and discovery of new reactions, functional molecules and materials. At CARS, we are at the very front of the ongoing chemical AI revolution and combine it with chemical robotics - that is, our artificial intelligence algorithms plan the syntheses and our robots execute them, often under close-loop control, to navigate towards optimal solutions. VIEW MORE

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