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∙ 09/06/2023

RLSynC: Offline-Online Reinforcement Learning for Synthon Completion

Retrosynthesis is the process of determining the set of reactant molecul...

0 Frazier N. Baker, et al. ∙

∙ 08/23/2023

Shape-conditioned 3D Molecule Generation via Equivariant Diffusion Models

Ligand-based drug design aims to identify novel drug candidates of simil...

0 Ziqi Chen, et al. ∙

∙ 04/09/2023

Nearest-Neighbor Sampling Based Conditional Independence Testing

The conditional randomization test (CRT) was recently proposed to test w...

0 Shuai Li, et al. ∙

∙ 03/02/2023

T-Cell Receptor Optimization with Reinforcement Learning and Mutation Policies for Precesion Immunotherapy

T cells monitor the health status of cells by identifying foreign peptid...

0 Ziqi Chen, et al. ∙

∙ 06/10/2022

𝖦^2𝖱𝖾𝗍𝗋𝗈: Two-Step Graph Generative Models for Retrosynthesis Prediction

Retrosynthesis is a procedure where a molecule is transformed into poten...

0 Ziqi Chen, et al. ∙

∙ 03/11/2022

A comparative study of non-deep learning, deep learning, and ensemble learning methods for sunspot number prediction

Solar activity has significant impacts on human activities and health. O...

0 Yuchen Dang, et al. ∙

∙ 12/08/2020

Molecule Optimization via Fragment-based Generative Models

In drug discovery, molecule optimization is an important step in order t...

0 Ziqi Chen, et al. ∙

∙ 12/04/2020

Ranking-based Convolutional Neural Network Models for Peptide-MHC Binding Prediction

T-cell receptors can recognize foreign peptides bound to major histocomp...

0 Ziqi Chen, et al. ∙

∙ 06/05/2020

Adversarial Image Generation and Training for Deep Convolutional Neural Networks

Deep convolutional neural networks (DCNNs) have achieved great success i...

0 Ronghua Shi, et al. ∙

∙ 06/22/2018

Personalized Thread Recommendation for MOOC Discussion Forums

Social learning, i.e., students learning from each other through social ...

0 Andrew S. Lan, et al. ∙

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