In-Silico Extraction of Design Ideas Using MMPA-by-QSAR and its Application on ADME Endpoints-Reference-Cited by-同舟云学术

In-Silico Extraction of Design Ideas Using MMPA-by-QSAR and its Application on ADME Endpoints

Published:2018-11-29 Issue:1 Volume:59 Page:477-485
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Koutsoukas Alexios¹,Chang George¹,Keefer Christopher E.¹^ORCID

Affiliation:

1. Computational ADME Group, Department of Pharmacokinetics, Dynamics, and Metabolism, Pfizer Worldwide Research & Development, Groton, Connecticut 06340, United States

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.8b00520

Reference25 articles.

1. Matched Molecular Pairs as a Guide in the Optimization of Pharmaceutical Properties; a Study of Aqueous Solubility, Plasma Protein Binding and Oral Exposure

2. ADMET rules of thumb II: A comparison of the effects of common substituents on a range of ADMET parameters

3. Extraction of tacit knowledge from large ADME data sets via pairwise analysis

4. Structure Modification in Chemical Databases

5. Matched Molecular Pair Analysis in Short: Algorithms, Applications and Limitations

Cited by 9 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. Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web Tool for Triaging Compounds with Undesired Pharmacokinetics Profiles;Journal of Medicinal Chemistry;2024-04-03

2. Machine learning small molecule properties in drug discovery;Artificial Intelligence Chemistry;2023-12

3. Harnessing the necessary nitrogen atom in chemical biology and drug discovery;Medicinal Chemistry Research;2023-05-27

4. Matched Molecular Pair Analysis in Drug Discovery: Methods and Recent Applications;Journal of Medicinal Chemistry;2023-04-04

5. Data-Driven Derivation of Molecular Substructures That Enhance Drug Activity in Gram-Negative Bacteria;Journal of Medicinal Chemistry;2022-04-15