In Silico Prediction of Volume of Distribution in Humans. Extensive Data Set and the Exploration of Linear and Nonlinear Methods Coupled with Molecular Interaction Fields Descriptors-Reference-Cited by-同舟云学术

In Silico Prediction of Volume of Distribution in Humans. Extensive Data Set and the Exploration of Linear and Nonlinear Methods Coupled with Molecular Interaction Fields Descriptors

Published:2016-09-28 Issue:10 Volume:56 Page:2042-2052
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Lombardo Franco¹,Jing Yankang¹

Affiliation:

1. Modelling, Computation and Molecular Properties Group, Biogen, 225 Binney Street, Cambridge, Massachusetts 02142, 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.6b00044

Reference29 articles.

1. Volume of Distribution in Drug Design

2. Prediction of Volume of Distribution Values in Humans for Neutral and Basic Drugs Using Physicochemical Measurements and Plasma Protein Binding Data

3. Prediction of Human Volume of Distribution Values for Neutral and Basic Drugs. 2. Extended Data Set and Leave-Class-Out Statistics

4. A Hybrid Mixture Discriminant Analysis−Random Forest Computational Model for the Prediction of Volume of Distribution of Drugs in Human

5. In Silico Prediction of Volume of Distribution in Human Using Linear and Nonlinear Models on a 669 Compound Data Set

Cited by 39 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. Through a computer monitor darkly: artificial intelligence in absorption, distribution, metabolism and excretion science.;Xenobiotica;2023-12-14

3. DeepDelta: predicting ADMET improvements of molecular derivatives with deep learning;Journal of Cheminformatics;2023-10-27

4. Application of variational graph encoders as an effective generalist algorithm in computer-aided drug design;Nature Machine Intelligence;2023-07-06

5. Application of <i>in Silico</i> Technologies for Drug Target Discovery and Pharmacokinetic Analysis;Chemical and Pharmaceutical Bulletin;2023-06-01