ChemGAN challenge for drug discovery: can AI reproduce natural chemical diversity?

28 August 2017

Papers citing "ChemGAN challenge for drug discovery: can AI reproduce natural chemical diversity?"

16 / 16 papers shown

Title
Structure-based Drug Design Benchmark: Do 3D Methods Really Dominate? Kangyu Zheng Yingzhou Lu Zaixi Zhang Zhongwei Wan Yao Ma Marinka Zitnik Tianfan Fu ELM 36 6 0 04 Jun 2024
Cousins Of The Vendi Score: A Family Of Similarity-Based Diversity Metrics For Science And Machine Learning Amey P. Pasarkar Adji Bousso Dieng 27 11 0 19 Oct 2023
Hybrid Quantum Generative Adversarial Networks for Molecular Simulation and Drug Discovery Prateek Jain Srinjoy Ganguly GAN AI4CE 28 7 0 15 Dec 2022
The Vendi Score: A Diversity Evaluation Metric for Machine Learning Dan Friedman Adji Bousso Dieng EGVM 94 111 0 05 Oct 2022
MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design Yuanqi Du Tianfan Fu Jimeng Sun Shengchao Liu AI4CE 36 86 0 28 Mar 2022
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Kexin Huang Tianfan Fu Wenhao Gao Yue Zhao Yusuf Roohani J. Leskovec Connor W. Coley Cao Xiao Jimeng Sun Marinka Zitnik OOD LM&MA 33 263 0 18 Feb 2021
A Survey on Generative Adversarial Networks: Variants, Applications, and Training Abdul Jabbar Xi Li Bourahla Omar 25 266 0 09 Jun 2020
Deep Learning and Knowledge-Based Methods for Computer Aided Molecular Design -- Toward a Unified Approach: State-of-the-Art and Future Directions Abdulelah S. Alshehri R. Gani Fengqi You AI4CE 30 83 0 18 May 2020
A Review on Generative Adversarial Networks: Algorithms, Theory, and Applications Jie Gui Zhenan Sun Yonggang Wen Dacheng Tao Jieping Ye EGVM 33 821 0 20 Jan 2020
DeepScaffold: a comprehensive tool for scaffold-based de novo drug discovery using deep learning Yibo Li Jianxing Hu Yanxing Wang Jielong Zhou L. Zhang Zhenming Liu 30 92 0 20 Aug 2019
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models Daniil Polykovskiy Alexander Zhebrak Benjamín Sánchez-Lengeling Sergey Golovanov Oktai Tatanov ... Simon Johansson Hongming Chen Sergey I. Nikolenko Alán Aspuru-Guzik Alex Zhavoronkov ELM 197 633 0 29 Nov 2018
GuacaMol: Benchmarking Models for De Novo Molecular Design Nathan Brown Marco Fiscato Marwin H. S. Segler Alain C. Vaucher ELM 44 692 0 22 Nov 2018
Optimization of Molecules via Deep Reinforcement Learning Zhenpeng Zhou S. Kearnes Li Li R. Zare Patrick F. Riley AI4CE 27 532 0 19 Oct 2018
Latent Molecular Optimization for Targeted Therapeutic Design Tristan Aumentado-Armstrong 15 41 0 05 Sep 2018
GANAX: A Unified MIMD-SIMD Acceleration for Generative Adversarial Networks Amir Yazdanbakhsh Hajar Falahati Philip J. Wolfe K. Samadi N. Kim H. Esmaeilzadeh 30 71 0 10 May 2018
Multi-Objective De Novo Drug Design with Conditional Graph Generative Model Yibo Li L. Zhang Zhenming Liu 43 335 0 18 Jan 2018