Search

Theoretical and Computational Chemistry

Working Paper

Classification of Platinum Nanoparticle Catalysts using Machine Learning

Amanda J. Parker, George Opletal, Amanda Barnard

Version 1 posted 21 May 2020

656

Downloads

Theoretical and Computational Chemistry

Working Paper

Mapping the Space of Chemical Reactions using Attention-Based Neural Networks

Philippe Schwaller, Daniel Probst, Alain C. Vaucher, Vishnu H Nair, David Kreutter, Teodoro Laino, Jean-Louis Reymond

Version 4 posted 11 December 2020

5,249

Downloads

Theoretical and Computational Chemistry

Working Paper

Modeling Variance: A Variance-Motivated Approach to Molecular Prediction

na'il mitchell

Version 3 posted 20 November 2020

505

Downloads

Theoretical and Computational Chemistry

Working Paper

Development of Predictive Models for Identifying Potential S100A9 Inhibitors Based on Machine Learning Methods

Jihyeun Lee, Surendra Kumar, Sang-Yoon Lee, Sung Jean Park, Mi-hyun Kim

Version 1 posted 05 August 2019

413

Downloads

Materials Science

Working Paper

Convolutional Network Analysis of Optical Micrographs

Alexander Smith, Nicholas L. Abbott, Victor M. Zavala

Version 2 posted 03 March 2020

795

Downloads

Theoretical and Computational Chemistry

Working Paper

Transformer-CNN: Fast and Reliable Tool for QSAR

Pavel Karpov, Guillaume Godin, Igor Tetko

Version 1 posted 21 October 2019

900

Downloads

1

Citations

Theoretical and Computational Chemistry

Working Paper

Classification of Coffee and Wine with a Microwave Resonator and Deep Learning Machine Technique

Hyo Bong Hong, Jae-Chan Jeong, Hans Joachim Krause

Version 1 posted 12 June 2020

372

Downloads

Theoretical and Computational Chemistry

Working Paper

Introduction to Machine Learning for Chemists: An Undergraduate Course Using Python Notebooks for Visualization, Data Processing, Data Analysis, and Data Modeling

Deborah Lafuente, Brenda Cohen, Guillermo Fiorini, Agustín García, Mauro Bringas, Ezequiel Morzan, Diego Onna

Version 1 posted 10 February 2021

2,934

Downloads

Theoretical and Computational Chemistry

Working Paper

Using ATR-FTIR Spectra and Convolutional Neural Networks for Characterizing Mixed Plastic Waste

Shengli Jiang, Zhuo Xu, Medhavi Kamran, Stas Zinchik, Sidike Paheding, Armando McDonald, Ezra Bar-Ziv, Victor Zavala

Version 2 posted 03 May 2021

1,384

Downloads

1

Citations

Materials Science

Review

Defects in 3D Printing and Strategies to Enhance Quality of FFF Additive Manufacturing. A Review

Kirill Erokhin, Sergei Naumov, Valentine Ananikov

Version 1 posted 03 October 2023

727

Downloads

4

Citations

Refine Search

17 results in classification in Keywords: classification

Classification of Platinum Nanoparticle Catalysts using Machine Learning

Mapping the Space of Chemical Reactions using Attention-Based Neural Networks

Modeling Variance: A Variance-Motivated Approach to Molecular Prediction

Development of Predictive Models for Identifying Potential S100A9 Inhibitors Based on Machine Learning Methods

Convolutional Network Analysis of Optical Micrographs

Transformer-CNN: Fast and Reliable Tool for QSAR

Classification of Coffee and Wine with a Microwave Resonator and Deep Learning Machine Technique

Introduction to Machine Learning for Chemists: An Undergraduate Course Using Python Notebooks for Visualization, Data Processing, Data Analysis, and Data Modeling

Using ATR-FTIR Spectra and Convolutional Neural Networks for Characterizing Mixed Plastic Waste

Defects in 3D Printing and Strategies to Enhance Quality of FFF Additive Manufacturing. A Review

17 results in Keywords: classification