Comparison of Nine Programs Predicting pKa Values of Pharmaceutical Substances-Reference-Cited by-同舟云学术

Comparison of Nine Programs Predicting pKa Values of Pharmaceutical Substances

Published:2009-12-04 Issue:12 Volume:49 Page:2801-2812
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Liao Chenzhong¹,Nicklaus Marc C.¹

Affiliation:

1. Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, DHHS, NCI-Frederick, 376 Boyles St., Frederick, Maryland 21702

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/ci900289x

Reference44 articles.

1. Comer, J. and Tam, K.InPharmacokinetic Optimization in Drug Research: Biological, Physicochemical, and Computational Strategies;Testa, B., van de Waterbeemd, H., Folkers, G., and Guy, R., Eds.Wiley-VCH:Weinheim; New York, 2001; pp275−304.

2. Comer, J. E. A.InComprehensive Medicinal Chemistry II.Testa, B. and van de Waterbeemd, H., Eds.Elsevier:Oxford, UK, 2007; Vol.5, pp357−398.

3. Calculating the Protonation States of Proteins and Small Molecules: Implications to Ligand-Receptor Interactions

4. Determination of acid dissociation constants by capillary electrophoresis

Cited by 149 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. Bridging Machine Learning and Thermodynamics for Accurate pK_a Prediction;JACS Au;2024-07-17

2. Leveraging DFT and Molecular Fragmentation for Chemically Accurate pK_a Prediction Using Machine Learning;Journal of Chemical Information and Modeling;2024-02-01

3. Resistance of Acetyl-, Formyl-, and Methoxy-Phenylboronic Acids to Boroxine Formation and Their Employment in Fluoride Determination of Dental Formulations and Beverages by Fluorescence Quenching;Journal of Applied Spectroscopy;2024-01

4. Design, synthesis, and pharmacological evaluation of indazole carboxamides of N-substituted pyrrole derivatives as soybean lipoxygenase inhibitors;Molecular Diversity;2023-12-25

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