Autonomous chemical experiments: Challenges and perspectives on establishing a self-driving lab

M Seifrid, R Pollice, A Aguilar-Granda… - Accounts of Chemical …, 2022 - ACS Publications
Conspectus We must accelerate the pace at which we make technological advancements to
address climate change and disease risks worldwide. This swifter pace of discovery requires …

Machine learning directed drug formulation development

P Bannigan, M Aldeghi, Z Bao, F Häse… - Advanced Drug Delivery …, 2021 - Elsevier
Abstract Machine learning (ML) has enabled ground-breaking advances in the healthcare
and pharmaceutical sectors, from improvements in cancer diagnosis, to the identification of …

AlphaFlow: autonomous discovery and optimization of multi-step chemistry using a self-driven fluidic lab guided by reinforcement learning

AA Volk, RW Epps, DT Yonemoto, BS Masters… - Nature …, 2023 - nature.com
Closed-loop, autonomous experimentation enables accelerated and material-efficient
exploration of large reaction spaces without the need for user intervention. However …

Exploration of ultralarge compound collections for drug discovery

WA Warr, MC Nicklaus, CA Nicolaou… - Journal of Chemical …, 2022 - ACS Publications
Designing new medicines more cheaply and quickly is tightly linked to the quest of exploring
chemical space more widely and efficiently. Chemical space is monumentally large, but …

Toward autonomous laboratories: Convergence of artificial intelligence and experimental automation

Y **e, K Sattari, C Zhang, J Lin - Progress in Materials Science, 2023 - Elsevier
The ever-increasing demand for novel materials with superior properties inspires retrofitting
traditional research paradigms in the era of artificial intelligence and automation. An …

A dynamic knowledge graph approach to distributed self-driving laboratories

J Bai, S Mosbach, CJ Taylor, D Karan, KF Lee… - Nature …, 2024 - nature.com
The ability to integrate resources and share knowledge across organisations empowers
scientists to expedite the scientific discovery process. This is especially crucial in addressing …

From platform to knowledge graph: evolution of laboratory automation

J Bai, L Cao, S Mosbach, J Akroyd, AA Lapkin, M Kraft - JACS Au, 2022 - ACS Publications
High-fidelity computer-aided experimentation is becoming more accessible with the
development of computing power and artificial intelligence tools. The advancement of …

Machine learning and chemometrics for electrochemical sensors: moving forward to the future of analytical chemistry

P Puthongkham, S Wirojsaengthong, A Suea-Ngam - Analyst, 2021 - pubs.rsc.org
Electrochemical sensors and biosensors have been successfully used in a wide range of
applications, but systematic optimization and nonlinear relationships have been …

Enabling technology and core theory of synthetic biology

XE Zhang, C Liu, J Dai, Y Yuan, C Gao, Y Feng… - Science China Life …, 2023 - Springer
Synthetic biology provides a new paradigm for life science research (“build to learn”) and
opens the future journey of biotechnology (“build to use”). Here, we discuss advances of …

Bridging the void: Halogen bonding and aromatic interactions to program luminescence and electronic properties of π-conjugated materials in the solid state

SA Sharber, WJ Mullin, SW Thomas III - Chemistry of Materials, 2021 - ACS Publications
π-Conjugated materials are promising candidates for emerging organic optoelectronic
devices empowered by molecular design. The unsolved challenges of predicting and …