Literature DB >> 21438582

Use of 13C NMR chemical shift as QSAR/QSPR descriptor.

Rajeshwar P Verma1, Corwin Hansch.   

Abstract

Entities:  

Mesh：

Substances：

Year:  2011        PMID： 21438582     DOI： 10.1021/cr100125d

Source DB:  PubMed          Journal:  Chem Rev        ISSN： 0009-2665            Impact factor:   60.622


× No keyword cloud information.
  9 in total

Review 1.  How medicinal chemists learned about log P.

Authors:  Yvonne Connolly Martin
Journal:  J Comput Aided Mol Des       Date:  2018-07-17       Impact factor: 3.686

2.  QSPR modeling of optical rotation of amino acids using specific quantum chemical descriptors.

Authors:  Karina Kapusta; Natalia Sizochenko; Sedat Karabulut; Sergiy Okovytyy; Eugene Voronkov; Jerzy Leszczynski
Journal:  J Mol Model       Date:  2018-02-17       Impact factor: 1.810

3.  Materials informatics approach using domain modelling for exploring structure-property relationships of polymers.

Authors:  Koki Hara; Shunji Yamada; Atsushi Kurotani; Eisuke Chikayama; Jun Kikuchi
Journal:  Sci Rep       Date:  2022-06-22       Impact factor: 4.996

4.  Enantioselective redox-relay oxidative heck arylations of acyclic alkenyl alcohols using boronic acids.

Authors:  Tian-Sheng Mei; Erik W Werner; Alexander J Burckle; Matthew S Sigman
Journal:  J Am Chem Soc       Date:  2013-04-24       Impact factor: 15.419

5.  Modeling chemical interaction profiles: I. Spectral data-activity relationship and structure-activity relationship models for inhibitors and non-inhibitors of cytochrome P450 CYP3A4 and CYP2D6 isozymes.

Authors:  Brooks McPhail; Yunfeng Tie; Huixiao Hong; Bruce A Pearce; Laura K Schnackenberg; Weigong Ge; Luis G Valerio; James C Fuscoe; Weida Tong; Dan A Buzatu; Jon G Wilkes; Bruce A Fowler; Eugene Demchuk; Richard D Beger
Journal:  Molecules       Date:  2012-03-15       Impact factor: 4.411

Review 6.  Recent Advances in Multinuclear NMR Spectroscopy for Chiral Recognition of Organic Compounds.

Authors:  Márcio S Silva
Journal:  Molecules       Date:  2017-02-07       Impact factor: 4.411

7.  Signal Deconvolution and Generative Topographic Mapping Regression for Solid-State NMR of Multi-Component Materials.

Authors:  Shunji Yamada; Eisuke Chikayama; Jun Kikuchi
Journal:  Int J Mol Sci       Date:  2021-01-22       Impact factor: 5.923

Review 8.  The exposome paradigm to predict environmental health in terms of systemic homeostasis and resource balance based on NMR data science.

Authors:  Jun Kikuchi; Shunji Yamada
Journal:  RSC Adv       Date:  2021-09-13       Impact factor: 4.036

9.  The unexpected roles of σ and π orbitals in electron donor and acceptor group effects on the 13C NMR chemical shifts in substituted benzenes.

Authors:  Renan V Viesser; Lucas C Ducati; Cláudio F Tormena; Jochen Autschbach
Journal:  Chem Sci       Date:  2017-07-21       Impact factor: 9.825
  9 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.