Unraveling Key Elements Underlying Molecular Property Prediction: A Systematic Study

1 code implementation • 26 Sep 2022 • Jianyuan Deng, Zhibo Yang, Hehe Wang, Iwao Ojima, Dimitris Samaras, Fusheng Wang

Herein, we conduct an extensive evaluation of representative models using various representations on the MoleculeNet datasets, a suite of opioids-related datasets and two additional activity datasets from the literature.

Drug Discovery Molecular Property Prediction +3

Artificial Intelligence in Drug Discovery: Applications and Techniques

1 code implementation • 9 Jun 2021 • Jianyuan Deng, Zhibo Yang, Iwao Ojima, Dimitris Samaras, Fusheng Wang

Artificial intelligence (AI) has been transforming the practice of drug discovery in the past decade.

Drug Discovery Molecular Property Prediction +1

Identifying Risk of Opioid Use Disorder for Patients Taking Opioid Medications with Deep Learning

no code implementations • 9 Oct 2020 • Xinyu Dong, Jianyuan Deng, Sina Rashidian, Kayley Abell-Hart, Wei Hou, Richard N Rosenthal, Mary Saltz, Joel Saltz, Fusheng Wang

Identifying patients at high risk of Opioid Use Disorder (OUD) can help to make early clinical interventions to reduce the risk of OUD.

Towards Better Opioid Antagonists Using Deep Reinforcement Learning

no code implementations • 26 Mar 2020 • Jianyuan Deng, Zhibo Yang, Yao Li, Dimitris Samaras, Fusheng Wang

Naloxone, an opioid antagonist, has been widely used to save lives from opioid overdose, a leading cause for death in the opioid epidemic.

Drug Discovery reinforcement-learning +2

Robust and Fast Decoding of High-Capacity Color QR Codes for Mobile Applications

1 code implementation • 21 Apr 2017 • Zhibo Yang, Huanle Xu, Jianyuan Deng, Chen Change Loy, Wing Cheong Lau

Particularly, we further discover a new type of chromatic distortion in high-density color QR codes, cross-module color interference, caused by the high density which also makes the geometric distortion correction more challenging.