Search

Categories

Chemical Engineering and Industrial Chemistry

(1)

Organic Chemistry

(1)

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Over 3 years

(1)

Last 3 years

(2)

Keywords

reaction yield prediction

Authors

3 results in Keywords: reaction yield prediction

Theoretical and Computational Chemistry

Kernel Methods for Predicting Yields of Chemical Reactions

Alexe Haywood, Joseph Redshaw, Magnus Hanson-Heine, Adam Taylor, Alex Brown, Andy Mason, Thomas Gaertner, Jonathan Hirst

Version 1 posted 01 April 2021

1,015

Downloads

Theoretical and Computational Chemistry

Reaxtica: A knowledge-guided machine learning platform for fast and accurate reaction selectivity and yield prediction

Kangjie Lin, Junren Li, Haoyu Lin, Jianfeng Pei, Luhua Lai

Version 2 posted 30 August 2022

1,413

Downloads

1

Citations

Chemical Engineering and Industrial Chemistry

Guidelines for Machine Learning Yield Prediction from Small-Size Literature Dataset

Jules Schleinitz, Maxime Langevin, Yanis Smail, Benjamin Wehnert, Laurence Grimaud, Rodolphe Vuilleumier

Version 2 posted 18 May 2022

1,254

Downloads

1

Citations