ChemBERTa: Large-Scale Self-Supervised Pretraining for Molecular
Property Prediction

ChemBERTa: Large-Scale Self-Supervised Pretraining for Molecular Property Prediction

19 October 2020

Seyone Chithrananda

Bharath Ramsundar

Papers citing "ChemBERTa: Large-Scale Self-Supervised Pretraining for Molecular Property Prediction"

17 / 167 papers shown

Title
Using Clinical Drug Representations for Improving Mortality and Length of Stay Predictions Batuhan Bardak Mehmet Tan 22 2 0 17 Oct 2021
Relative Molecule Self-Attention Transformer Lukasz Maziarka Dawid Majchrowski Tomasz Danel Piotr Gaiñski Jacek Tabor Igor T. Podolak Pawel M. Morkisz Stanislaw Jastrzebski MedIm 37 34 0 12 Oct 2021
Molformer: Motif-based Transformer on 3D Heterogeneous Molecular Graphs Fang Wu Dragomir R. Radev Huabin Xing ViT 36 54 0 04 Oct 2021
Chemical-Reaction-Aware Molecule Representation Learning Hongwei Wang Weijian Li Xiaomeng Jin Kyunghyun Cho Heng Ji Jiawei Han Martin Burke 107 56 0 21 Sep 2021
Automated and Explainable Ontology Extension Based on Deep Learning: A Case Study in the Chemical Domain A. Memariani Martin Glauer Fabian Neuhaus Till Mossakowski Janna Hastings 28 5 0 19 Sep 2021
Multilingual Molecular Representation Learning via Contrastive Pre-training Zhihui Guo P. Sharma Andy Martinez Liang Du Robin Abraham 38 29 0 18 Sep 2021
Differentiable Physics: A Position Piece Bharath Ramsundar Dilip Krishnamurthy V. Viswanathan PINN AI4CE 40 14 0 14 Sep 2021
IMG2SMI: Translating Molecular Structure Images to Simplified Molecular-input Line-entry System Daniel Fernando Campos Heng Ji 31 12 0 03 Sep 2021
Geometric Deep Learning on Molecular Representations Kenneth Atz F. Grisoni G. Schneider AI4CE 34 287 0 26 Jul 2021
DebiasedDTA: A Framework for Improving the Generalizability of Drug-Target Affinity Prediction Models Riza Ozccelik Alperen Baug Berk Atil Melih Barsbey Arzucan Özgür Elif Özkirimli AI4CE 6 0 0 04 Jul 2021
Large-Scale Chemical Language Representations Capture Molecular Structure and Properties Jerret Ross Brian M. Belgodere Vijil Chenthamarakshan Inkit Padhi Youssef Mroueh Payel Das AI4CE 27 272 0 17 Jun 2021
Dual-view Molecule Pre-training Jinhua Zhu Yingce Xia Tao Qin Wen-gang Zhou Houqiang Li Tie-Yan Liu AI4CE 27 51 0 17 Jun 2021
Artificial Intelligence in Drug Discovery: Applications and Techniques Jianyuan Deng Zhibo Yang Iwao Ojima Dimitris Samaras Fusheng Wang AI4TS 26 100 0 09 Jun 2021
Ten Quick Tips for Deep Learning in Biology Benjamin D. Lee A. Gitter Casey S. Greene S. Raschka F. Maguire ... Alexandr A Kalinin T. Triche Benjamin J. Lengerich Timothy J. Triche Jr S. Boca OOD 27 26 0 29 May 2021
Using Molecular Embeddings in QSAR Modeling: Does it Make a Difference? María Virginia Sabando I. Ponzoni E. Milios Axel J. Soto 25 26 0 20 Mar 2021
Learn molecular representations from large-scale unlabeled molecules for drug discovery Pengyong Li Jun Wang Yixuan Qiao Hao Chen Yihuan Yu Xiaojun Yao Peng Gao Guotong Xie Sen Song GNN 25 28 0 21 Dec 2020
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 193 1,778 0 02 Mar 2017