Deep Learning and Knowledge-Based Methods for Computer Aided Molecular
Design -- Toward a Unified Approach: State-of-the-Art and Future Directions

Deep Learning and Knowledge-Based Methods for Computer Aided Molecular Design -- Toward a Unified Approach: State-of-the-Art and Future Directions

18 May 2020

Abdulelah S. Alshehri

Papers citing "Deep Learning and Knowledge-Based Methods for Computer Aided Molecular Design -- Toward a Unified Approach: State-of-the-Art and Future Directions"

10 / 10 papers shown

Title
Generative AI and Process Systems Engineering: The Next Frontier Benjamin Decardi-Nelson Abdulelah S. Alshehri Akshay Ajagekar Fengqi You AI4CE LLMAG 26 24 0 15 Feb 2024
Computer-Aided Multi-Objective Optimization in Small Molecule Discovery Jenna C. Fromer Connor W. Coley 21 67 0 13 Oct 2022
MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design Yuanqi Du Tianfan Fu Jimeng Sun Shengchao Liu AI4CE 28 86 0 28 Mar 2022
Graphical Gaussian Process Regression Model for Aqueous Solvation Free Energy Prediction of Organic Molecules in Redox Flow Battery Peiyuan Gao Xiu Yang Yu Tang Muqing Zheng Amity Anderson V. Murugesan Aaron Hollas Wei Wang 9 7 0 15 Jun 2021
An Introduction to Deep Reinforcement Learning Vincent François-Lavet Peter Henderson Riashat Islam Marc G. Bellemare Joelle Pineau OffRL AI4CE 80 1,231 0 30 Nov 2018
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 191 633 0 29 Nov 2018
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 203 885 0 07 Jun 2018
Conditional molecular design with deep generative models Seokho Kang Kyunghyun Cho BDL 157 183 0 30 Apr 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 224 1,337 0 12 Feb 2018
Input Convex Neural Networks Brandon Amos Lei Xu J. Zico Kolter 178 598 0 22 Sep 2016