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"

6 / 6 papers shown

Title
TransPolymer: a Transformer-based language model for polymer property predictions Changwen Xu Yuyang Wang A. Farimani 24 86 0 03 Sep 2022
AugLiChem: Data Augmentation Library of Chemical Structures for Machine Learning Rishikesh Magar Yuyang Wang Cooper Lorsung Chen Liang Hariharan Ramasubramanian Peiyuan Li A. Farimani 28 27 0 30 Nov 2021
Gaussian Process Molecule Property Prediction with FlowMO Henry B. Moss Ryan-Rhys Griffiths 15 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 25 13 0 28 Jun 2020
Methods for Interpreting and Understanding Deep Neural Networks G. Montavon Wojciech Samek K. Müller FaML 234 2,238 0 24 Jun 2017
Neural Architecture Search with Reinforcement Learning Barret Zoph Quoc V. Le 271 5,329 0 05 Nov 2016