Coley, C.

Authored

(372g) Molecule Selection and Batch Synthesis Planning for Design-Make-Test Cycles
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(419h) Experimental Design: From Iterative Reaction Optimization to Route Planning with Literature Data
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(361d) Pareto Optimization to Accelerate Multi-Property Virtual Screening
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(687e) Chemprop: Machine Learning for Molecular Property Prediction
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(485f) Keynote Talk: The Roadmap to an Autonomous Chemistry Lab
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(77a) Learning to Design Organic Syntheses
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(364j) Generating 3D Conformer Ensembles of Molecular Graphs with End-to-End Differentiable Networks
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(9a) Retrosynthesis Based on Chemical Similarity: Applications in Enzymatic Synthesis
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(509dg) Computer-Aided Prediction of Enzymatic Reactions
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(234c) Predictive in silico Models for Cell Culture Process Development for Biologics Manufacturing
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(275d) Streamlining Small Molecule Design and Synthesis
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(209c) Streamlining Small Molecule Design and Synthesis
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(500c) Progress in Applying AI/ML to Reaction Engineering and Chemical Synthesis
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(499d) Combined Synthesis Planning for Synthetic Drugs on the WHO Essential Medicines List
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(455b) Bigsmiles: A Text-Based Representation for Polymer Structure
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
Computer-Aided Chemical Synthesis: Progress and Opportunities
2019 Process Development Symposium
(140c) Using Machine Learning to Recommend Reaction Conditions and Quantifying Similarity of Catalysts, Solvents, and Reagents
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(544ab) Automated Microfluidic Platform for High-Throughput Screening of Rhodium-Catalyzed Hydroformylation
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(15f) Closed-Loop Reaction Optimization in Microscale Oscillating Droplets: An MINLP Algorithm Applied to Suzuki-Miyaura Coupling Catalyst Selection
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(6cj) Toward Autonomous Molecular Discovery: Machine Learning and Automation for the Rational Design and Optimization of Novel Compounds
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(299c) Photoredox Iridium-Nickel Dual Catalyzed Decarboxylative Arylation Cross-Coupling: From Batch to Continuous Flow Via Self-Optimizing Segmented Flow Reactor
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(140b) Learning to Design and Validate Small-Molecule Synthetic Routes from Historical Reaction Data
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(350g) Single-Droplet Flow Chemistry Platform for High-Throughput Studies of Rhodium-Catalyzed Hydroformylation Reactions
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(328b) Autonomous Reaction Platform for Continuous Chemical Synthesis
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(507b) On-Demand Medicinal Chemistry and Compound Synthesis in Oscillating Droplets
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

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2017 Annual Meeting2018 AIChE Annual Meeting2019 AIChE Annual Meeting2019 Process Development Symposium2020 Virtual AIChE Annual Meeting2021 Annual Meeting2022 Annual Meeting2023 AIChE Annual Meeting