A robotic platform for flow synthesis of organic compounds informed by AI planning

RDChiral: An RDKit Wrapper for Handling Stereochemistry in Retrosynthetic Template Extraction and Application

(2019) Connor W. Coley et al.   Journal of Chemical Information and Modeling

Machine Learning in Computer-Aided Synthesis Planning

(2018) Connor W. Coley et al.   ACCOUNTS OF CHEMICAL RESEARCH

Advanced Continuous Flow Platform for On-Demand Pharmaceutical Manufacturing

(2018) Ping Zhang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Organic synthesis provides opportunities to transform drug discovery

(2018) David C. Blakemore et al.   Nature Chemistry

A platform for automated nanomole-scale reaction screening and micromole-scale synthesis in flow

(2018) Damith Perera et al.   SCIENCE

“Found in Translation”: predicting outcomes of complex organic chemistry reactions using neural sequence-to-sequence models

(2018) Philippe Schwaller et al.   Chemical Science

Accelerating the discovery of materials for clean energy in the era of smart automation

(2018) Daniel P. Tabor et al.   Nature Reviews Materials

Efficient Syntheses of Diverse, Medicinally Relevant Targets Planned by Computer and Executed in the Laboratory

(2018) Tomasz Klucznik et al.   Chem

Planning chemical syntheses with deep neural networks and symbolic AI

(2018) Marwin H. S. Segler et al.   NATURE

Reconfigurable system for automated optimization of diverse chemical reactions

(2018) Anne-Catherine Bédard et al.   SCIENCE

Organic synthesis in a modular robotic system driven by a chemical programming language

(2018) Sebastian Steiner et al.   SCIENCE

Using Machine Learning To Predict Suitable Conditions for Organic Reactions

(2018) Hanyu Gao et al.   ACS Central Science

Automating drug discovery

(2017) Gisbert Schneider   NATURE REVIEWS DRUG DISCOVERY

Prediction of Organic Reaction Outcomes Using Machine Learning

(2017) Connor W. Coley et al.   ACS Central Science

Feedback in Flow for Accelerated Reaction Development

(2016) Brandon J. Reizman et al.   ACCOUNTS OF CHEMICAL RESEARCH

Computer-Assisted Synthetic Planning: The End of the Beginning

(2016) Sara Szymkuć et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

On-demand continuous-flow production of pharmaceuticals in a compact, reconfigurable system

(2016) A. Adamo et al.   SCIENCE

Organic Synthesis: March of the Machines

(2015) Steven V. Ley et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Continuous-Flow Technology-A Tool for the Safe Manufacturing of Active Pharmaceutical Ingredients

(2015) Bernhard Gutmann et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Novel Internet-Based Reaction Monitoring, Control and Autonomous Self-Optimization Platform for Chemical Synthesis

(2015) Daniel E. Fitzpatrick et al.   ORGANIC PROCESS RESEARCH & DEVELOPMENT

Synthesis of many different types of organic small molecules using one automated process

(2015) J. Li et al.   SCIENCE

A Three-Minute Synthesis and Purification of Ibuprofen: Pushing the Limits of Continuous-Flow Processing

(2014) David R. Snead et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Organic synthesis: The robo-chemist

(2014) Mark Peplow   NATURE

Nanomole-scale high-throughput chemistry for the synthesis of complex molecules

(2014) A. Buitrago Santanilla et al.   SCIENCE

A remote-controlled adaptive medchem lab: an innovative approach to enable drug discovery in the 21st Century

(2013) Alexander G. Godfrey et al.   DRUG DISCOVERY TODAY

Membrane-Based, Liquid–Liquid Separator with Integrated Pressure Control

(2013) Andrea Adamo et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Mining Electronic Laboratory Notebooks: Analysis, Retrosynthesis, and Reaction Based Enumeration

(2012) Clara D. Christ et al.   Journal of Chemical Information and Modeling

Deciding Whether To Go with the Flow: Evaluating the Merits of Flow Reactors for Synthesis

(2011) Ryan L. Hartman et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Continuous flow reactors: a perspective

(2011) Charlotte Wiles et al.   GREEN CHEMISTRY

Computer-aided synthesis design: 40 years on

(2011) Anthony Cook et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Extended-Connectivity Fingerprints

(2010) David Rogers et al.   Journal of Chemical Information and Modeling

Route Designer: A Retrosynthetic Analysis Tool Utilizing Automated Retrosynthetic Rule Generation

(2009) James Law et al.   Journal of Chemical Information and Modeling