IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep Learning Method-Reference-Cited by-同舟云学术

IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep Learning Method

Published:2022-05-24 Issue:11 Volume:62 Page:2788-2799
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Lou Chaofeng¹,Yang Hongbin¹^ORCID,Wang Jiye¹^ORCID,Huang Mengting¹,Li Weihua¹^ORCID,Liu Guixia¹^ORCID,Lee Philip W.¹,Tang Yun¹^ORCID

Affiliation:

1. Shanghai Frontiers Science Center of Optogenetic Techniques for Cell Metabolism, School of Pharmacy, East China University of Science and Technology, Shanghai 200237, China

Funder

Ministry of Science and Technology of the People's Republic of China

National Natural Science Foundation of China

Higher Education Discipline Innovation Project

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c00297

Reference63 articles.

1. An analysis of the attrition of drug candidates from four major pharmaceutical companies

2. Pharmacokinetics and metabolism in early drug discovery

3. Can the pharmaceutical industry reduce attrition rates?

4. Improving the metabolic stability of antifungal compounds based on a scaffold hopping strategy: Design, synthesis, and structure-activity relationship studies of dihydrooxazole derivatives

5. Bridge Functionalisation of Bicyclo[1.1.1]pentane Derivatives

Cited by 12 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. The state-of-the-art machine learning model for Plasma Protein Binding Prediction: computational modeling with OCHEM and experimental validation;2024-07-16

2. Enhancing property and activity prediction and interpretation using multiple molecular graph representations with MMGX;Communications Chemistry;2024-04-05

3. BioPrint Meets the AI Age: Development of Artificial Intelligence-Based ADMET Models for the Drug-Discovery Platform SAFIRE;Future Medicinal Chemistry;2024-03-22

4. AutoMolDesigner for Antibiotic Discovery: An AI-Based Open-Source Software for Automated Design of Small-Molecule Antibiotics;Journal of Chemical Information and Modeling;2024-01-24

5. Deep Learning for Drug Development: Using CNNs in MIA-QSAR to Predict Plasma Protein Binding of Drugs;AAPS PharmSciTech;2023-11-14