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Autonomous chemical experiments: Challenges and perspectives on establishing a self-driving lab
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 …
address climate change and disease risks worldwide. This swifter pace of discovery requires …
Machine learning directed drug formulation development
Abstract Machine learning (ML) has enabled ground-breaking advances in the healthcare
and pharmaceutical sectors, from improvements in cancer diagnosis, to the identification of …
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
Closed-loop, autonomous experimentation enables accelerated and material-efficient
exploration of large reaction spaces without the need for user intervention. However …
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 …
chemical space more widely and efficiently. Chemical space is monumentally large, but …
Toward autonomous laboratories: Convergence of artificial intelligence and experimental automation
The ever-increasing demand for novel materials with superior properties inspires retrofitting
traditional research paradigms in the era of artificial intelligence and automation. An …
traditional research paradigms in the era of artificial intelligence and automation. An …
A dynamic knowledge graph approach to distributed self-driving laboratories
The ability to integrate resources and share knowledge across organisations empowers
scientists to expedite the scientific discovery process. This is especially crucial in addressing …
scientists to expedite the scientific discovery process. This is especially crucial in addressing …
From platform to knowledge graph: evolution of laboratory automation
High-fidelity computer-aided experimentation is becoming more accessible with the
development of computing power and artificial intelligence tools. The advancement of …
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
Electrochemical sensors and biosensors have been successfully used in a wide range of
applications, but systematic optimization and nonlinear relationships have been …
applications, but systematic optimization and nonlinear relationships have been …
Enabling technology and core theory of synthetic biology
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 …
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
π-Conjugated materials are promising candidates for emerging organic optoelectronic
devices empowered by molecular design. The unsolved challenges of predicting and …
devices empowered by molecular design. The unsolved challenges of predicting and …