SMILES-X: autonomous molecular compounds characterization for small datasets without descriptors

20 June 2019

Papers citing "SMILES-X: autonomous molecular compounds characterization for small datasets without descriptors"

5 / 5 papers shown

Title
AugLiChem: Data Augmentation Library of Chemical Structures for Machine Learning Rishikesh Magar Yuyang Wang Cooper Lorsung Chen Liang Hariharan Ramasubramanian Peiyuan Li A. Farimani 24 27 0 30 Nov 2021
Gaussian Process Molecule Property Prediction with FlowMO Henry B. Moss Ryan-Rhys Griffiths 11 23 0 02 Oct 2020
Data-Driven Discovery of Molecular Photoswitches with Multioutput Gaussian Processes Ryan-Rhys Griffiths Jake L. Greenfield Aditya R. Thawani Arian R. Jamasb Henry B. Moss Anthony Bourached Penelope Jones William McCorkindale Alexander A. Aldrick Matthew J. Fuchter Alpha A. Lee 6 13 0 28 Jun 2020
Methods for Interpreting and Understanding Deep Neural Networks G. Montavon Wojciech Samek K. Müller FaML 234 2,235 0 24 Jun 2017
Neural Architecture Search with Reinforcement Learning Barret Zoph Quoc V. Le 264 5,326 0 05 Nov 2016