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Anisotropy of polarizability and stereochemical structure of some triaryl derivatives of group IV elements

Bulletin of the Academy of Sciences of the USSR Division of Chemical Science, 1981-10, Vol.30 (10), p.1861-1864

1981

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Dipole moments and spatial structure of some trisarylselenomethanes

Bulletin of the Academy of Sciences of the USSR Division of Chemical Science, 1977-02, Vol.26 (2), p.395-397

1977

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A review of molecular representation in the age of machine learning

Wiley interdisciplinary reviews. Computational molecular science, 2022-09, Vol.12 (5), p.e1603-n/a

2022

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A Brief Introduction to Chemical Reaction Optimization

Chemical reviews, 2023-03, Vol.123 (6), p.3089-3126

2023

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Continuous-Flow Synthesis and Derivatization of Aziridines through Palladium-Catalyzed C(sp3)−H Activation

Angewandte Chemie (International ed.), 2016-07, Vol.55 (31), p.8878-8883

International ed. in English, 2016

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Economically viable CO2 electroreduction embedded within ethylene oxide manufacturing

Energy & environmental science, 2021-01, Vol.14 (3), p.1530-1543

2021

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From Platform to Knowledge Graph: Evolution of Laboratory Automation

JACS Au, 2022-02, Vol.2 (2), p.292-309

2022

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Chemical data intelligence for sustainable chemistry

Chemical Society reviews, 2021-11, Vol.5 (21), p.1213-1236

2021

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Machine learning and molecular descriptors enable rational solvent selection in asymmetric catalysis

Chemical science (Cambridge), 2019-07, Vol.1 (27), p.6697-676

2019

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Synthesis of Pyrrole‐2‐Carboxylic Acid from Cellulose‐ and Chitin‐Based Feedstocks Discovered by the Automated Route Search

ChemSusChem, 2024-02, Vol.17 (3), p.e202300538-n/a

2024

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Reinforcement learning optimization of reaction routes on the basis of large, hybrid organic chemistry-synthetic biological, reaction network data

Reaction chemistry & engineering, 2023-09, Vol.8 (1), p.2491-254

2023

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ORDerly: Data Sets and Benchmarks for Chemical Reaction Data

Journal of chemical information and modeling, 2024-05, Vol.64 (9), p.3790-3798

2024

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Reaction Impurity Prediction using a Data Mining Approach

Chemistry methods, 2023-06, Vol.3 (6), p.n/a

2023

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Completing and Balancing Database Excerpted Chemical Reactions with a Hybrid Mechanistic-Machine Learning Approach

ACS omega, 2024-04, Vol.9 (16), p.18385-18399

2024

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Towards automation of chemical process route selection based on data mining

Green chemistry : an international journal and green chemistry resource : GC, 2017, Vol.19 (1), p.140-152

2017

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A machine learning-enabled process optimization of ultra-fast flow chemistry with multiple reaction metrics

Reaction chemistry & engineering, 2024-02, Vol.9 (3), p.619-629

2024

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Elucidating Reaction Pathways of the CO2 Electroreduction via Tailorable Tortuosities and Oxidation States of Cu Nanostructures

Advanced functional materials, 2022-09, Vol.32 (36), p.n/a

2022

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The effect of chemical representation on active machine learning towards closed-loop optimization

Reaction chemistry & engineering, 2022-05, Vol.7 (6), p.1368-1379

2022

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Summit: Benchmarking Machine Learning Methods for Reaction Optimisation

Chemistry methods, 2021-02, Vol.1 (2), p.116-122

2021

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Efficient Syntheses of Biobased Terephthalic Acid, p‑Toluic Acid, and p‑Methylacetophenone via One-Pot Catalytic Aerobic Oxidation of Monoterpene Derived Bio‑p‑cymene

ACS sustainable chemistry & engineering, 2021-06, Vol.9 (25), p.8642-8652

2021

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A Multiobjective Optimization Including Results of Life Cycle Assessment in Developing Biorenewables‐Based Processes

ChemSusChem, 2017-09, Vol.10 (18), p.3632-3643

2017

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Revealing Grain Boundaries and Defect Formation in Nanocrystal Superlattices by Nanodiffraction

Small (Weinheim an der Bergstrasse, Germany), 2019-12, Vol.15 (50), p.e1904954-n/a

2019

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Accelerated Chemical Reaction Optimization Using Multi-Task Learning

ACS central science, 2023-05, Vol.9 (5), p.957-968

2023

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Multi-objective Bayesian optimisation using q -noisy expected hypervolume improvement ( q NEHVI) for the Schotten–Baumann reaction

Reaction chemistry & engineering, 2024-02, Vol.9 (3), p.706-712

2024

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Nitrogen Removal and Energy Recovery from Sewage Sludge by Combined Hydrothermal Pretreatment and CO2 Gasification

ACS sustainable chemistry & engineering, 2018-12, Vol.6 (12), p.16629-16636

2018

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Anisotropy of polarizability and stereochemical structure of some triaryl derivatives of group IV elements

Dipole moments and spatial structure of some trisarylselenomethanes

A review of molecular representation in the age of machine learning

A Brief Introduction to Chemical Reaction Optimization

Continuous-Flow Synthesis and Derivatization of Aziridines through Palladium-Catalyzed C(sp3)−H Activation

Economically viable CO2 electroreduction embedded within ethylene oxide manufacturing

From Platform to Knowledge Graph: Evolution of Laboratory Automation

Chemical data intelligence for sustainable chemistry

Machine learning and molecular descriptors enable rational solvent selection in asymmetric catalysis

Synthesis of Pyrrole‐2‐Carboxylic Acid from Cellulose‐ and Chitin‐Based Feedstocks Discovered by the Automated Route Search

Reinforcement learning optimization of reaction routes on the basis of large, hybrid organic chemistry-synthetic biological, reaction network data

ORDerly: Data Sets and Benchmarks for Chemical Reaction Data

Reaction Impurity Prediction using a Data Mining Approach

Completing and Balancing Database Excerpted Chemical Reactions with a Hybrid Mechanistic-Machine Learning Approach

Towards automation of chemical process route selection based on data mining

A machine learning-enabled process optimization of ultra-fast flow chemistry with multiple reaction metrics

Elucidating Reaction Pathways of the CO2 Electroreduction via Tailorable Tortuosities and Oxidation States of Cu Nanostructures

The effect of chemical representation on active machine learning towards closed-loop optimization

Summit: Benchmarking Machine Learning Methods for Reaction Optimisation

Efficient Syntheses of Biobased Terephthalic Acid, p‑Toluic Acid, and p‑Methylacetophenone via One-Pot Catalytic Aerobic Oxidation of Monoterpene Derived Bio‑p‑cymene

A Multiobjective Optimization Including Results of Life Cycle Assessment in Developing Biorenewables‐Based Processes

Revealing Grain Boundaries and Defect Formation in Nanocrystal Superlattices by Nanodiffraction

Accelerated Chemical Reaction Optimization Using Multi-Task Learning

Multi-objective Bayesian optimisation using q -noisy expected hypervolume improvement ( q NEHVI) for the Schotten–Baumann reaction

Nitrogen Removal and Energy Recovery from Sewage Sludge by Combined Hydrothermal Pretreatment and CO2 Gasification

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