FSscore: A Machine Learning-based Synthetic Feasibility Score Leveraging Human Expertise

20 December 2023

Papers citing "FSscore: A Machine Learning-based Synthetic Feasibility Score Leveraging Human Expertise"

5 / 5 papers shown

Title
Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design Keir Adams Connor W. Coley 29 23 0 06 Oct 2022
Training language models to follow instructions with human feedback Long Ouyang Jeff Wu Xu Jiang Diogo Almeida Carroll L. Wainwright ... Amanda Askell Peter Welinder Paul Christiano Jan Leike Ryan J. Lowe OSLM ALM 301 11,730 0 04 Mar 2022
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 167 628 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 184 878 0 07 Jun 2018
Dropout as a Bayesian Approximation: Representing Model Uncertainty in Deep Learning Y. Gal Zoubin Ghahramani UQCV BDL 247 9,042 0 06 Jun 2015