Predicting PAMPA permeability using the 3D-RISM-KH theory: are we there yet?-Reference-Cited by-同舟云学术

Predicting PAMPA permeability using the 3D-RISM-KH theory: are we there yet?

Published:2021-01-04 Issue:2 Volume:35 Page:261-269
ISSN:0920-654X
Container-title:Journal of Computer-Aided Molecular Design
language:en
Short-container-title:J Comput Aided Mol Des

Author:

Roy Dipankar^ORCID,Dutta Devjyoti^ORCID,Wishart David S.^ORCID,Kovalenko Andriy^ORCID

Funder

Canadian Network for Research and Innovation in Machining Technology, Natural Sciences and Engineering Research Council of Canada

Alberta Innovates AARP VII Research Grant

Alzheimer Society of Alberta and Northwest Territories AARP VII Research Grant

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry,Computer Science Applications,Drug Discovery

Link

http://link.springer.com/content/pdf/10.1007/s10822-020-00364-4.pdf

Reference64 articles.

1. Kansy M, Senner F, Gubernator L (1998) J Med Chem 41:1007–1010

2. Kansy M, Fischer H, Kratzat K, Senner F, Wagner B, Parrilla I (2001) In: Testa B, van de Waterbeemd H, Folkers G, Guy R (eds) Pharmacokinetic optimization in drug research: biological, physicochemical, and computational strategies. Verlag Helvetica Chimica Acta, Zürich/Wiley-VCG, Weinheim

3. Di L, Kerns EH (2003) Curr Opin Chem Biol 7:402–408

4. Veber DF, Johnson SR, Cheng H-Y, Smith BR, Ward KW, Kopple KD (2002) J Med Chem 45:2615–2623

5. Kerns EH (2001) J Pharm Sci 90:1838–1858

Cited by 8 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. In silico drug discovery: a machine learning-driven systematic review;Medicinal Chemistry Research;2024-06-15

2. Extending the limitations in the prediction of PAMPA permeability with machine learning algorithms;European Journal of Pharmaceutical Sciences;2023-09

3. Development of artificial neural network models to predict the PAMPA effective permeability of new, orally administered drugs active against the coronavirus SARS-CoV-2;Network Modeling Analysis in Health Informatics and Bioinformatics;2023-02-06

4. A Recent Appraisal of Artificial Intelligence and In Silico ADMET Prediction in the Early Stages of Drug Discovery;Mini-Reviews in Medicinal Chemistry;2021-11-23

5. Benchmarking Free Energy Calculations in Liquid Aliphatic Ketone Solvents Using the 3D-RISM-KH Molecular Solvation Theory;J;2021-10-13