Automating drug discovery

Extending ‘predict first’ to the design-make-test cycle in small-molecule drug discovery

(2017) Scott Harrison et al.   Future Medicinal Chemistry

Active learning for computational chemogenomics

(2017) Daniel Reker et al.   Future Medicinal Chemistry

Is Multitask Deep Learning Practical for Pharma?

(2017) Bharath Ramsundar et al.   Journal of Chemical Information and Modeling

Protein–Ligand Scoring with Convolutional Neural Networks

(2017) Matthew Ragoza et al.   Journal of Chemical Information and Modeling

Deep learning for computational chemistry

(2017) Garrett B. Goh et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Toolkits and Libraries for Deep Learning

(2017) Bradley J. Erickson et al.   JOURNAL OF DIGITAL IMAGING

Embarking on a Chemical Space Odyssey

(2017) Shiao Y. Chow et al.   JOURNAL OF MEDICINAL CHEMISTRY

A droplet-chip/mass spectrometry approach to study organic synthesis at nanoliter scale

(2017) R. J. Beulig et al.   LAB ON A CHIP

WAT-on-a-chip: a physiologically relevant microfluidic system incorporating white adipose tissue

(2017) Peter Loskill et al.   LAB ON A CHIP

A survey on deep learning in medical image analysis

(2017) Geert Litjens et al.   MEDICAL IMAGE ANALYSIS

De novo Drug Design - Ye olde Scoring Problem Revisited

(2017) Gisbert Schneider et al.   Molecular Informatics

Deep learning for single-molecule science

(2017) Tim Albrecht et al.   NANOTECHNOLOGY

Applications of chemogenomic library screening in drug discovery

(2017) Lyn H. Jones et al.   NATURE REVIEWS DRUG DISCOVERY

Recent lab-on-chip developments for novel drug discovery

(2017) Nauman Khalid et al.   Wiley Interdisciplinary Reviews-Systems Biology and Medicine

Integrated Platform for Expedited Synthesis–Purification–Testing of Small Molecule Libraries

(2017) Aleksandra Baranczak et al.   ACS Medicinal Chemistry Letters

Practical High-Throughput Experimentation for Chemists

(2017) Michael Shevlin   ACS Medicinal Chemistry Letters

An Integrated Microfluidic Processor for DNA-Encoded Combinatorial Library Functional Screening

(2017) Andrew B. MacConnell et al.   ACS Combinatorial Science

ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics

(2017) Jiangming Sun et al.   Journal of Cheminformatics

Representing high throughput expression profiles via perturbation barcodes reveals compound targets

(2017) Tracey M. Filzen et al.   PLoS Computational Biology

Low Data Drug Discovery with One-Shot Learning

(2017) Han Altae-Tran et al.   ACS Central Science

Prediction of Organic Reaction Outcomes Using Machine Learning

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

Predicting the outcomes of organic reactions via machine learning: are current descriptors sufficient?

(2017) G. Skoraczyński et al.   Scientific Reports

Feedback in Flow for Accelerated Reaction Development

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

Hydrogel Droplet Microfluidics for High-Throughput Single Molecule/Cell Analysis

(2016) Zhi Zhu et al.   ACCOUNTS OF CHEMICAL RESEARCH

Molecular inflation, attrition and the rule of five

(2016) Paul D. Leeson   ADVANCED DRUG DELIVERY REVIEWS

Microfluidics for cell-based high throughput screening platforms—A review

(2016) Guansheng Du et al.   ANALYTICA CHIMICA ACTA

Accessing Drug Metabolites via Transition-Metal Catalyzed C−H Oxidation: The Liver as Synthetic Inspiration

(2016) Julien Genovino et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

From Complex Natural Products to Simple Synthetic Mimetics by Computational De Novo Design

(2016) Lukas Friedrich et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Computer-Assisted Synthetic Planning: The End of the Beginning

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

Development of a Specific Substrate—Inhibitor Panel (Liver-on-a-Chip) for Evaluation of Cytochrome P450 Activity

(2016) A. A. Zakhariants et al.   BULLETIN OF EXPERIMENTAL BIOLOGY AND MEDICINE

Spotting and designing promiscuous ligands for drug discovery

(2016) P. Schneider et al.   CHEMICAL COMMUNICATIONS

Function-Oriented Synthesis: How to Design Simplified Analogues of Antibacterial Nucleoside Natural Products?

(2016) Satoshi Ichikawa   CHEMICAL RECORD

The Pictet-Spengler Reaction Still on Stage

(2016) Cinzia Ingallina et al.   CURRENT PHARMACEUTICAL DESIGN

Why and how have drug discovery strategies in pharma changed? What are the new mindsets?

(2016) Serge Mignani et al.   DRUG DISCOVERY TODAY

The changing model of big pharma: impact of key trends

(2016) Ajay Gautam et al.   DRUG DISCOVERY TODAY

Where will we get the next generation of medicinal chemists?

(2016) Dave Allen   DRUG DISCOVERY TODAY

Organoid-on-a-chip and body-on-a-chip systems for drug screening and disease modeling

(2016) Aleksander Skardal et al.   DRUG DISCOVERY TODAY

A renaissance of neural networks in drug discovery

(2016) Igor I. Baskin et al.   Expert Opinion on Drug Discovery

Macromolecular target prediction by self-organizing feature maps

(2016) Gisbert Schneider et al.   Expert Opinion on Drug Discovery

Does ‘Big Data’ exist in medicinal chemistry, and if so, how can it be harnessed?

(2016) Igor V Tetko et al.   Future Medicinal Chemistry

Boosting Docking-Based Virtual Screening with Deep Learning

(2016) Janaina Cruz Pereira et al.   Journal of Chemical Information and Modeling

Inverse QSPR/QSAR Analysis for Chemical Structure Generation (from y to x)

(2016) Tomoyuki Miyao et al.   Journal of Chemical Information and Modeling

The Proximal Lilly Collection: Mapping, Exploring and Exploiting Feasible Chemical Space

(2016) Christos A. Nicolaou et al.   Journal of Chemical Information and Modeling

Feasibility of Active Machine Learning for Multiclass Compound Classification

(2016) Tobias Lang et al.   Journal of Chemical Information and Modeling

Deep Feature Selection: Theory and Application to Identify Enhancers and Promoters

(2016) Yifeng Li et al.   JOURNAL OF COMPUTATIONAL BIOLOGY

No Denying It: Medicinal Chemistry Training Is in Big Trouble

(2016) Michael F. Rafferty   JOURNAL OF MEDICINAL CHEMISTRY

De Novo Design at the Edge of Chaos

(2016) Petra Schneider et al.   JOURNAL OF MEDICINAL CHEMISTRY

The Medicinal Chemistry of Therapeutic Oligonucleotides

(2016) W. Brad Wan et al.   JOURNAL OF MEDICINAL CHEMISTRY

Microfluidic platforms for DNA methylation analysis

(2016) Ryoji Kurita et al.   LAB ON A CHIP

Electrochemical imaging for microfluidics: a full-system approach

(2016) Adnane Kara et al.   LAB ON A CHIP

Boosting compound-protein interaction prediction by deep learning

(2016) Kai Tian et al.   METHODS

BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry

(2016) Igor V. Tetko et al.   Molecular Informatics

Performance of Deep and Shallow Neural Networks, the Universal Approximation Theorem, Activity Cliffs, and QSAR

(2016) David A. Winkler et al.   Molecular Informatics

Chemoinformatic Classification Methods and their Applicability Domain

(2016) Miriam Mathea et al.   Molecular Informatics

Applications of Deep Learning in Biomedicine

(2016) Polina Mamoshina et al.   MOLECULAR PHARMACEUTICS

Deep Learning Applications for Predicting Pharmacological Properties of Drugs and Drug Repurposing Using Transcriptomic Data

(2016) Alexander Aliper et al.   MOLECULAR PHARMACEUTICS

Development of Droplet Microfluidics Enabling High-Throughput Single-Cell Analysis

(2016) Na Wen et al.   MOLECULES

Synthesis of Cesium Lead Halide Perovskite Nanocrystals in a Droplet-Based Microfluidic Platform: Fast Parametric Space Mapping

(2016) Ioannis Lignos et al.   NANO LETTERS

Can we open the black box of AI?

(2016) Davide Castelvecchi   NATURE

Optimizing the Heck–Matsuda Reaction in Flow with a Constraint-Adapted Direct Search Algorithm

(2016) Daniel Cortés-Borda et al.   ORGANIC PROCESS RESEARCH & DEVELOPMENT

The Next Era: Deep Learning in Pharmaceutical Research

(2016) Sean Ekins   PHARMACEUTICAL RESEARCH

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

(2016) A. Adamo et al.   SCIENCE

Towards a Multifunctional Electrochemical Sensing and Niosome Generation Lab-on-Chip Platform Based on a Plug-and-Play Concept

(2016) Adnane Kara et al.   SENSORS

Multi-objective active machine learning rapidly improves structure–activity models and reveals new protein–protein interaction inhibitors

(2016) D. Reker et al.   Chemical Science

TensorFlow: Biology’s Gateway to Deep Learning?

(2016) Ladislav Rampasek et al.   Cell Systems

Function through Synthesis-Informed Design

(2015) Paul A. Wender et al.   ACCOUNTS OF CHEMICAL RESEARCH

From Synthesis to Function via Iterative Assembly of N-Methyliminodiacetic Acid Boronate Building Blocks

(2015) Junqi Li et al.   ACCOUNTS OF CHEMICAL RESEARCH

Flow Chemistry: Intelligent Processing of Gas–Liquid Transformations Using a Tube-in-Tube Reactor

(2015) Martin Brzozowski et al.   ACCOUNTS OF CHEMICAL RESEARCH

3D Printed Microtransporters: Compound Micromachines for Spatiotemporally Controlled Delivery of Therapeutic Agents

(2015) Tian-Yun Huang et al.   ADVANCED MATERIALS

3D Droplet Microfluidic Systems for High-Throughput Biological Experimentation

(2015) Dong-Ku Kang et al.   ANALYTICAL CHEMISTRY

De Novo Fragment Design for Drug Discovery and Chemical Biology

(2015) Tiago Rodrigues et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Organic Synthesis: March of the Machines

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

Drug Discovery Goes Three-Dimensional: Goodbye to Flat High-Throughput Screening?

(2015) Richard M. Eglen et al.   ASSAY AND DRUG DEVELOPMENT TECHNOLOGIES

Dynamic combinatorial chemistry: a tool to facilitate the identification of inhibitors for protein targets

(2015) Milon Mondal et al.   CHEMICAL SOCIETY REVIEWS

Total Synthesis of (±)-Englerin A Using An Intermolecular [3+2] Cycloaddition Reaction of Platinum-Containing Carbonyl Ylide

(2015) Hiroyuki Kusama et al.   Chemistry-An Asian Journal

Active-learning strategies in computer-assisted drug discovery

(2015) Daniel Reker et al.   DRUG DISCOVERY TODAY

Strong Nonadditivity as a Key Structure–Activity Relationship Feature: Distinguishing Structural Changes from Assay Artifacts

(2015) Christian Kramer et al.   Journal of Chemical Information and Modeling

Stargate GTM: Bridging Descriptor and Activity Spaces

(2015) Héléna A. Gaspar et al.   Journal of Chemical Information and Modeling

Analysis of Past and Present Synthetic Methodologies on Medicinal Chemistry: Where Have All the New Reactions Gone?

(2015) Dean G. Brown et al.   JOURNAL OF MEDICINAL CHEMISTRY

Deep Learning in Drug Discovery

(2015) Erik Gawehn et al.   Molecular Informatics

Robots with instincts

(2015) Christoph Adami   NATURE

Robots that can adapt like animals

(2015) Antoine Cully et al.   NATURE

Deep learning

(2015) Yann LeCun et al.   NATURE

A microfluidic device for epigenomic profiling using 100 cells

(2015) Zhenning Cao et al.   NATURE METHODS

March of the synthesis machines

(2015) Katharine Sanderson   NATURE REVIEWS DRUG DISCOVERY

Predicting drug metabolism: experiment and/or computation?

(2015) Johannes Kirchmair et al.   NATURE REVIEWS DRUG DISCOVERY

Organs-on-chips at the frontiers of drug discovery

(2015) Eric W. Esch et al.   NATURE REVIEWS DRUG DISCOVERY

Design and synthesis of analogues of natural products

(2015) Martin E. Maier   ORGANIC & BIOMOLECULAR CHEMISTRY

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

(2015) J. Li et al.   SCIENCE

Process Intensified Flow Synthesis of 1H-4-Substituted Imidazoles: Toward the Continuous Production of Daclatasvir

(2015) Paula F. Carneiro et al.   ACS Sustainable Chemistry & Engineering

Distant Polypharmacology among MLP Chemical Probes

(2014) Albert A. Antolín et al.   ACS Chemical Biology

Making a big thing of a small cell – recent advances in single cell analysis

(2014) Kerstin Galler et al.   ANALYST

Seamless Integration of Dose-Response Screening and Flow Chemistry: Efficient Generation of Structure-Activity Relationship Data of β-Secretase (BACE1) Inhibitors

(2014) Michael Werner et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Accessing New Chemical Entities through Microfluidic Systems

(2014) Tiago Rodrigues et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Multidimensional De Novo Design Reveals 5-HT2BReceptor-Selective Ligands

(2014) Tiago Rodrigues et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Multi-Objective Molecular De Novo Design by Adaptive Fragment Prioritization

(2014) Michael Reutlinger et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Accelerating Spirocyclic Polyketide Synthesis using Flow Chemistry

(2014) Sean Newton et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Embedding sustainable practices into pharmaceutical R&D: what are the challenges?

(2014) Helen Sneddon   Future Medicinal Chemistry

Combinatorial chemistry by ant colony optimization

(2014) Jan A Hiss et al.   Future Medicinal Chemistry

Organic synthesis: The robo-chemist

(2014) Mark Peplow   NATURE

Contemporary screening approaches to reaction discovery and development

(2014) Karl D. Collins et al.   Nature Chemistry

Large-scale de novo DNA synthesis: technologies and applications

(2014) Sriram Kosuri et al.   NATURE METHODS

Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus

(2014) D. Reker et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Solid-phase peptide synthesis: an overview focused on the preparation of biologically relevant peptides

(2014) Jose M. Palomo   RSC Advances

Implementing Enzyme-Linked Immunosorbent Assays on a Microfluidic Chip To Quantify Intracellular Molecules in Single Cells

(2013) K. Eyer et al.   ANALYTICAL CHEMISTRY

“Batch” Kinetics in Flow: Online IR Analysis and Continuous Control

(2013) Jason S. Moore et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Profound Methyl Effects in Drug Discovery and a Call for New CH Methylation Reactions

(2013) Heike Schönherr et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Steering Target Selectivity and Potency by Fragment-Based De Novo Drug Design

(2013) Tiago Rodrigues et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Combining On-Chip Synthesis of a Focused Combinatorial Library with Computational Target Prediction Reveals Imidazopyridine GPCR Ligands

(2013) Michael Reutlinger et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Flash chemistry: flow chemistry that cannot be done in batch

(2013) Jun-ichi Yoshida et al.   CHEMICAL COMMUNICATIONS

Flow chemistry syntheses of natural products

(2013) Julio C. Pastre et al.   CHEMICAL SOCIETY REVIEWS

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

Considering the impact drug-like properties have on the chance of success

(2013) Iskander Yusof et al.   DRUG DISCOVERY TODAY

Do Medicinal Chemists Learn from Activity Cliffs? A Systematic Evaluation of Cliff Progression in Evolving Compound Data Sets

(2013) Dilyana Dimova et al.   JOURNAL OF MEDICINAL CHEMISTRY

Rapid Discovery of a Novel Series of Abl Kinase Inhibitors by Application of an Integrated Microfluidic Synthesis and Screening Platform

(2013) Bimbisar Desai et al.   JOURNAL OF MEDICINAL CHEMISTRY

Continuous Flow-Processing of Organometallic Reagents Using an Advanced Peristaltic Pumping System and the Telescoped Flow Synthesis of (E/Z)-Tamoxifen

(2013) Philip R. D. Murray et al.   ORGANIC PROCESS RESEARCH & DEVELOPMENT

Preparative Microfluidic Electrosynthesis of Drug Metabolites

(2013) Romain Stalder et al.   ACS Medicinal Chemistry Letters

Integrated Synthesis and Testing of Substituted Xanthine Based DPP4 Inhibitors: Application to Drug Discovery

(2013) Werngard Czechtizky et al.   ACS Medicinal Chemistry Letters

Representation of probabilistic scientific knowledge

(2013) Larisa N Soldatova et al.   Journal of Biomedical Semantics

Parallel Optimization of Synthetic Pathways within the Network of Organic Chemistry

(2012) Mikołaj Kowalik et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Diversity-oriented synthesis: producing chemical tools for dissecting biology

(2012) Cornelius J. O' Connor et al.   CHEMICAL SOCIETY REVIEWS

Nonlinear dimensionality reduction and mapping of compound libraries for drug discovery

(2012) Michael Reutlinger et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Automated design of ligands to polypharmacological profiles

(2012) Jérémy Besnard et al.   NATURE

Quantifying the chemical beauty of drugs

(2012) G. Richard Bickerton et al.   Nature Chemistry

Diagnosing the decline in pharmaceutical R&D efficiency

(2012) Jack W. Scannell et al.   NATURE REVIEWS DRUG DISCOVERY

Rapid Access to Compound Libraries through Flow Technology: Fully Automated Synthesis of a 3-Aminoindolizine Library via Orthogonal Diversification

(2012) Paul P. Lange et al.   ACS Combinatorial Science

Neighborhood-Preserving Visualization of Adaptive Structure-Activity Landscapes: Application to Drug Discovery

(2011) Michael Reutlinger et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Biology-Oriented Synthesis

(2011) Stefan Wetzel et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

Small-Volume Nuclear Magnetic Resonance Spectroscopy

(2011) Raluca M. Fratila et al.   Annual Review of Analytical Chemistry

Semantic inference using chemogenomics data for drug discovery

(2011) Qian Zhu et al.   BMC BIOINFORMATICS

Medicinal chemistry for 2020

(2011) Seetharama D Satyanarayanajois et al.   Future Medicinal Chemistry

Rationalizing Tight Ligand Binding through Cooperative Interaction Networks

(2011) Bernd Kuhn et al.   Journal of Chemical Information and Modeling

Learning to Predict Chemical Reactions

(2011) Matthew A. Kayala et al.   Journal of Chemical Information and Modeling

The Medicinal Chemist’s Toolbox: An Analysis of Reactions Used in the Pursuit of Drug Candidates

(2011) Stephen D. Roughley et al.   JOURNAL OF MEDICINAL CHEMISTRY

Flash synthesis of TAC-101 and its analogues from 1,3,5-tribromobenzene using integrated flow microreactor systems

(2011) Aiichiro Nagaki et al.   RSC Advances

Computer-aided synthesis design: 40 years on

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

Enabling future drug discovery by de novo design

(2011) Markus Hartenfeller et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

An Integrated Synthesis–Purification System to Accelerate the Generation of Compounds in Pharmaceutical Discovery

(2011) Jill E. Hochlowski et al.   Journal of Flow Chemistry

Applications of micromixing technology

(2010) Gi Seok Jeong et al.   ANALYST

An Integrated Microreactor System for Self-Optimization of a Heck Reaction: From Micro- to Mesoscale Flow Systems

(2010) Jonathan P. McMullen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Microdroplets in Microfluidics: An Evolving Platform for Discoveries in Chemistry and Biology

(2010) Ashleigh B. Theberge et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A flow-based synthesis of Imatinib: the API of Gleevec

(2010) Mark D. Hopkin et al.   CHEMICAL COMMUNICATIONS

Advances in microfluidics for drug discovery

(2010) Dario Lombardi et al.   Expert Opinion on Drug Discovery

Generative Models for Chemical Structures

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

Exhaustive Structure Generation for Inverse-QSPR/QSAR

(2010) Tomoyuki Miyao et al.   Molecular Informatics

Ultrahigh-throughput screening in drop-based microfluidics for directed evolution

(2010) J. J. Agresti et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Chemistry and Biology in Femtoliter and Picoliter Volume Droplets

(2009) Daniel T. Chiu et al.   ACCOUNTS OF CHEMICAL RESEARCH

Total Synthesis and Absolute Configuration of the Guaiane Sesquiterpene Englerin A

(2009) Matthieu Willot et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Principles, implementation, and application of biology-oriented synthesis (BIOS)

(2009) Wolfram Wilk et al.   BIOLOGICAL CHEMISTRY

Enhanced HTS Hit Selection via a Local Hit Rate Analysis

(2009) Bruce A. Posner et al.   Journal of Chemical Information and Modeling

No Electron Left Behind: A Rule-Based Expert System To Predict Chemical Reactions and Reaction Mechanisms

(2009) Jonathan H. Chen et al.   Journal of Chemical Information and Modeling

An integrated microfluidic device for large-scale in situ click chemistry screening

(2009) Yanju Wang et al.   LAB ON A CHIP

Robot wars

(2009)   Nature Chemistry

Lessons from 60 years of pharmaceutical innovation

(2009) Bernard Munos   NATURE REVIEWS DRUG DISCOVERY

The Automation of Science

(2009) Ross D. King et al.   SCIENCE

Distilling Free-Form Natural Laws from Experimental Data

(2009) Michael Schmidt et al.   SCIENCE

Flash Chemistry: Fast Chemical Synthesis by Using Microreactors

(2008) Jun-ichi Yoshida et al.   CHEMISTRY-A EUROPEAN JOURNAL

Identification of Hits and Lead Structure Candidates with Limited Resources by Adaptive Optimization

(2008) Andreas Schüller et al.   Journal of Chemical Information and Modeling

Function-Oriented Synthesis, Step Economy, and Drug Design

(2007) Paul A. Wender et al.   ACCOUNTS OF CHEMICAL RESEARCH