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Organic Chemistry

Working Paper

A Vending Machine for Drug-like Molecules – Automated Synthesis of Virtual Screening Hits

Angus E. MacMillan, Wilson W. X. Wu, Paula L. Nichols, Benedikt M. Wanner, Jeffrey Bode

Version 1 posted 19 September 2022

687

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Organic Chemistry

Working Paper

Effect of the degree of protonation of amino acid dopants in Chirality amplification in DSCG Lyotropic Nematic phases.

Fernán Berride, Eduardo Troche-Pesqueira, Richard G. Weiss, Armando Navarro-Vázquez, María Magdalena Cid

Version 1 posted 04 October 2021

3,136

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1

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Catalysis

Working Paper

Equipping data-driven experiment planning for Self-driving Laboratories with semantic memory: case studies of transfer learning in chemical reaction optimization

Riley Hickman, Jurgis Ruža, Loïc Roch, Hermann Tribukait, Alberto García-Durán

Version 1 posted 10 May 2022

834

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3

Citations

Theoretical and Computational Chemistry

Working Paper

Forward Reaction Prediction as Reverse Verification: A Novel Approach to Retrosynthesis

Ling Wang, Chengyun Zhang, Renren Bai, Jianjun Li, Hongliang Duan

Version 1 posted 27 October 2020

424

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Organic Chemistry

Working Paper

A Rearrangement of Allylic Silanols

Shyam Sathyamoorthi, Ranjeet Dhokale, Frederick Seidl

Version 1 posted 03 February 2021

367

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1

Citations

Chemical Education

Working Paper

Reasoning, granularity, and comparisons in students’ arguments on two organic chemistry items

Jacky M. Deng, Alison B. Flynn

Version 2 posted 12 April 2021

640

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Biological and Medicinal Chemistry

Working Paper

One-pot synthesis of benzo[c]chromene-6-ones via domino Suzuki-Miyaura cross-coupling followed by oxidative lactonization catalyzed by in situ generated palladium nanoparticles under aqueous-aerobic condition

Jayanta Kumar Ray, Yasin Nuree

Version 1 posted 07 July 2021

278

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Theoretical and Computational Chemistry

Working Paper

Dataset Bias in the Natural Sciences: A Case Study in Chemical Reaction Prediction and Synthesis Design

Ryan-Rhys Griffiths, Philippe Schwaller, Alpha Lee

Version 1 posted 21 November 2018

1,414

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3

Citations

Theoretical and Computational Chemistry

Working Paper

Predicting Retrosynthetic Pathways Using a Combined Linguistic Model and Hyper-Graph Exploration Strategy

Philippe Schwaller, Riccardo Petraglia, Valerio Zullo, Vishnu H Nair, Rico Andreas Haeuselmann, Riccardo Pisoni, Costas Bekas, Anna Iuliano, Teodoro Laino

Version 1 posted 21 October 2019

1,000

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1

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Organic Chemistry

Working Paper

Production of High Value Amine Intermediates via Biocatalytic Cascades in Continuous Flow

Ashley P. Mattey, grayson ford, Joan Citoler, Christopher Baldwin, James Marshall, Ryan Pamer, Matthew P. thompson, Nicholas Turner, Sebastian Cosgrove, Sabine Flitsch

Version 1 posted 17 February 2021

670

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Refine Search

42 results in organic chemistry in Keywords: organic chemistry

A Vending Machine for Drug-like Molecules – Automated Synthesis of Virtual Screening Hits

Effect of the degree of protonation of amino acid dopants in Chirality amplification in DSCG Lyotropic Nematic phases.

Equipping data-driven experiment planning for Self-driving Laboratories with semantic memory: case studies of transfer learning in chemical reaction optimization

Forward Reaction Prediction as Reverse Verification: A Novel Approach to Retrosynthesis

A Rearrangement of Allylic Silanols

Reasoning, granularity, and comparisons in students’ arguments on two organic chemistry items

One-pot synthesis of benzo[c]chromene-6-ones via domino Suzuki-Miyaura cross-coupling followed by oxidative lactonization catalyzed by in situ generated palladium nanoparticles under aqueous-aerobic condition

Dataset Bias in the Natural Sciences: A Case Study in Chemical Reaction Prediction and Synthesis Design

Predicting Retrosynthetic Pathways Using a Combined Linguistic Model and Hyper-Graph Exploration Strategy

Production of High Value Amine Intermediates via Biocatalytic Cascades in Continuous Flow

42 results in Keywords: organic chemistry