Results 211 to 220 of about 1,970,027 (229)

4D- quantitative structure–activity relationship modeling: making a comeback

Expert Opinion on Drug Discovery, 2019
Introduction: Predictive Quantitative Structure–Activity Relationship (QSAR) modeling has become an essential methodology for rapidly assessing various properties of chemicals.
D. Fourches, Jeremy R. Ash
semanticscholar   +1 more source

The (Re)-Evolution of Quantitative Structure-Activity Relationship (QSAR) Studies Propelled by the Surge of Machine Learning Methods

Journal of Chemical Information and Modeling, 2022
T. Soares, Ariane Nunes-Alves, Angelica Mazzolari, Fiorella Ruggiu, Guo-Wei Wei, K. Merz   +5 more
semanticscholar   +1 more source

Antifungal Activity of Griseofulvin Derivatives against Phytopathogenic Fungi in Vitro and in Vivo and Three-Dimensional Quantitative Structure-Activity Relationship Analysis.

Journal of Agricultural and Food Chemistry, 2019
With environmental pollution, residual hazards accumulate and severe drug resistance and many other problems appear; some highly toxic drugs have been banned, and antifungal agents are far from satisfactory. Natural products play an important role in the
Yu-Bin Bai, Yu-qi Gao, X. Nie, T. Tuong, Ding Li, Jin-Ming Gao   +5 more
semanticscholar   +1 more source

Application of quantitative structure-activity relationship to food-derived peptides: Methods, situations, challenges and prospects

Trends in Food Science & Technology, 2021
Weichen Bo, Lang Chen, Dongya Qin, Sheng Geng, Jiaqi Li, H. Mei, Bo Li, Gui-zhao Liang   +7 more
semanticscholar   +1 more source

Quantum chemical descriptors in quantitative structure–activity relationship models and their applications

, 2021
Liang-Liang Wang, Jun-Jie Ding, Li Pan, Dongsheng Cao, Hui Jiang, Xiao-Qin Ding   +5 more
semanticscholar   +1 more source

Origins of Selective Oxidation in Carbon-Based Nonradical Oxidation Processes toward Organic Pollutants: Quantitative Structure-Activity Relationships (QSARs).

Environmental Science and Technology
Metal-free carbon material-mediated nonradical oxidation processes (C-NOPs) have emerged as a research hotspot due to their excellent performance in selectively eliminating organic pollutants in aqueous environments.
Peng Zhang, Minglu Sun, Chenying Zhou, Chuan-Shu He, Yang Liu, Heng Zhang, Z. Xiong, Wen Liu, P. Zhou, Bo Lai   +9 more
semanticscholar   +1 more source

A systematic approach to determination of permeation enhancer action efficacy and sites: Molecular mechanism investigated by quantitative structure-activity relationship.

Journal of Controlled Release, 2020
Degong Yang, Chao Liu, P. Quan, L. Fang
semanticscholar   +1 more source

Advancing Predictive Risk Assessment of Chemicals via Integrating Machine Learning, Computational Modeling, and Chemical/Nano‐Quantitative Structure‐Activity Relationship Approaches

Advanced Intelligent Systems
Ajay Vikram Singh, Mansi Varma, Mansi Rai, S. Singh, Girija Bansod, P. Laux, A. Luch   +6 more
semanticscholar   +1 more source

Interpretation of Quantitative Structure-Activity Relationship Models: Past, Present, and Future

Journal of Chemical Information and Modeling, 2017
P. Polishchuk
semanticscholar   +1 more source

Quasi-SMILES-Based Nano-Quantitative Structure-Activity Relationship Model to Predict the Cytotoxicity of Multiwalled Carbon Nanotubes to Human Lung Cells.

Chemical Research in Toxicology, 2018
T. X. Trinh, Jang-Sik Choi, Hyunpyo Jeon, H. Byun, T. Yoon, Jongwoon Kim   +5 more
semanticscholar   +1 more source