Three-Dimensional Quantitative Structure−Activity Relationships from Tuned Molecular Quantum Similarity Measures: Prediction of the Corticosteroid-Binding Globulin Binding Affinity for a Steroid Family-Reference-Cited by-同舟云学术

Three-Dimensional Quantitative Structure−Activity Relationships from Tuned Molecular Quantum Similarity Measures: Prediction of the Corticosteroid-Binding Globulin Binding Affinity for a Steroid Family

Published:1999-02-09 Issue:2 Volume:39 Page:333-344
ISSN:0095-2338
Container-title:Journal of Chemical Information and Computer Sciences
language:en
Short-container-title:J. Chem. Inf. Comput. Sci.

Author:

Robert David¹,Amat Lluís¹,Carbó-Dorca Ramon¹

Affiliation:

1. Institute of Computational Chemistry, University of Girona, 17071 Girona, Catalonia, Spain

Publisher

American Chemical Society (ACS)

Subject

Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci980410v

Reference92 articles.

1. Wold, S.; Johansson, E.; Cocchi, M. PLSPartial Least-Squares Projections to Latent Structures. In3D QSAR in Drug Design; Kubinyi, H., Ed.; ESCOM: Leiden, The Netherlands, 1993; pp 523−550.

2. Applications of neural networks in structure-activity relationships of a small number of molecules

Cited by 94 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. QSPR in molecular spaces: ordering data, {de- & re-} constructing molecular similarity matrices, building their isometric vectors defining statistical-like momenta of molecular polyhedra, and analyzing the structure of a quantum QSPR operator;Journal of Mathematical Chemistry;2023-11-02

2. Quantum similarity and QSPR in Euclidean-, and Minkowskian–Banach spaces;Journal of Mathematical Chemistry;2023-01-25

4. Higher-Order and Mixed Discrete Derivatives such as a Novel Graph- Theoretical Invariant for Generating New Molecular Descriptors;Current Topics in Medicinal Chemistry;2019-07-25

5. Universal transformation and non-linear connection between experimental and calculated property vectors in QSPR;Journal of Mathematical Chemistry;2019-02-06