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RESEARCH PAPER · JACS Au · 2021

Chemputation and the Standardization of Chemical Informatics

Alexander J. S. Hammer, Artem I. Leonov, Nicola L. Bell, Leroy Cronin

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Chemputation and the Standardization of Chemical InformaticsOriginalDissimulate or disseminate? A survey on the fate of negative results15The way to AI-controlled synthesis: how far do we need to go?13ULSA: unified language of synthesis actions for the representation of inorganic synthesis protocols28From Platform to Knowledge Graph: Evolution of Laboratory Automation108Markup language for chemical process control and simulation1From traditional to data-driven medicinal chemistry: A case study14Machine Learning Applications for Chemical Reactions46Sharing is Caring: Guidelines for Sharing in the Electronic Laboratory Notebook (ELN) Chemotion as applied by a Synthesis‐oriented Working Group**9ARChemist: Autonomous Robotic Chemistry System Architecture47Digitization and validation of a chemical synthesis literature database in the ChemPU89Diving into the Deep End: Machine Learning for the Chemist2Automated discovery of nanomaterials via drug aggregation induced emission12Recent Developments in Process Digitalisation for Advanced Nanomaterial Syntheses11Machine learning for yield prediction for chemical reactions using in situ sensors11Toward autonomous laboratories: Convergence of artificial intelligence and experimental automation118Collaborative methods to enhance reproducibility and accelerate discovery20Synthetic Automations: A Revolution From “Stone Age” to Modern Era9Integrating autonomy into automated research platforms32Review of quantitative and qualitative methods for monitoring photopolymerization reactions44Synthesize in a Smart Way: A Brief Introduction to Intelligence and Automation in Organic Synthesis1Unveiling the synthesis patterns of nanomaterials: a text mining and meta-analysis approach with ZIF-8 as a case study9A robotic platform for the synthesis of colloidal nanocrystals169An Ecosystem for Digital Reticular Chemistry52Scopes and challenges of microfluidic technology for nanoparticle synthesis, photocatalysis and sensor applications: A comprehensive review36Transdisciplinary competency-based development in the process engineering subjects: A case study in Brazil12LABS: Laboratory Automation and Batch Scheduling – A Modular Open Source Python Program for the Control of Automated Electrochemical Synthesis with a Web Interface20Digitizing protocols into single reactors for the one-pot synthesis of nanomaterials2Recent Developments in Reactor Automation for Multistep Chemical Synthesis27Rapid planning and analysis of high-throughput experiment arrays for reaction discovery83Robotic Modules for the Programmable Chemputation of Molecules and Materials38Towards Reproducible and Automated Electrochemistry3Deep learning-based automatic action extraction from structured chemical synthesis procedures4Bayesian Optimization in Drug Discovery17A Processing and Analytics System for Microscopy Data Workflows: The Pycroscopy Ecosystem of Packages12In Pursuit of the Exceptional: Research Directions for Machine Learning in Chemical and Materials Science99The Electrolab: An open-source, modular platform for automated characterization of redox-active electrolytes44Results of a Three-Year Survey on the Implementation of Research Data Management and the Electronic Laboratory Notebook (ELN) Chemotion in an Advanced Inorganic Lab Course9Coordinate Robot for Smart Search and Recognition by QR Code of Preparations of a Pharmacy Warehouse3Chemical Species Ontology for Data Integration and Knowledge Discovery38Transforming organic chemistry research paradigms: Moving from manual efforts to the intersection of automation and artificial intelligence5ExpFlow: a graphical user interface for automated reproducible electrochemistry10Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back172Recent advancements in laboratory automation technology and their impact on scientific research and laboratory procedures6Reaction Kinetics using a Chemputable Framework for Data Collection and Analysis1Reaction Kinetics using a Chemputable Framework for Data Collection and Analysis11Helping chemists help themselves0Universal chemical programming language for robotic synthesis repeatability39Transforming research laboratories with connected digital twins19An integrated self-optimizing programmable chemical synthesis and reaction engine50Facile Integration of Robots into Experimental Orchestration at Scientific User Facilities1The advancement of artificial intelligence in biomedical research and health innovation: challenges and opportunities in emerging economies79Machine learning-guided strategies for reaction conditions design and optimization49AI and automation: democratizing automation and the evolution towards true AI-autonomous robotics11AI molecular catalysis: where are we now?30Extraction of chemical synthesis information using the World Avatar4A programmable modular robot for the synthesis of molecular machines11Local reaction condition optimization via machine learning1Deep Reinforcement Learning-Based Self-Optimization of Flow Chemistry8A Cobotic, Digitally Controlled Schlenk‐line Unlocks Access to Elusive Lewis‐Base Stabilised Copper Bis(Disilylamides)2A Cobotic, Digitally Controlled Schlenk‐line Unlocks Access to Elusive Lewis‐Base Stabilised Copper Bis(Disilylamides)0IvoryOS: an interoperable web interface for orchestrating Python-based self-driving laboratories16Universal peptide synthesis via solid-phase methods fused with chemputation1533 Unresolved Questions in Nanoscience and Nanotechnology58TideScript: A Domain Specific Language for Peptide Chemistry0Artificial intelligence/machine learning of polymer materials and discovery chemistry5A Computational Renaissance in High-Energy Density Materials (HEDMs) Research38On the use of chemical bonding descriptors in machine learning18Navigating the landscape of modular reconfigurable laboratory automation in chemistry1Technological innovations for continuous flow catalysis0Toward self-driving laboratory 2.0 for chemistry and materials discovery15Achieving Operational Universality through a Turing Complete Chemputer0Leveraging the Condensed Graph of Reaction for Clustering Retrosynthetic Pathways0

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