Results 181 to 190 of about 75,103 (257)

Computational Chemistry: QSAR of Dental Disease Causing Streptococcus mutans Using Eugenol Derivative Compounds from Clove Essential Oil

, 2023
Muliadi Muliadi, Topan Setiawan, Ike Dwi Setiani, Nur Asbirayani Limatahu, Deasy Liestianty   +4 more
openalex   +2 more sources

Next‐generation QSAR [PDF]

Molecular Informatics, 2011
openaire   +2 more sources

Quantitative structure activity relationship (QSAR) modeling for adsorption of organic compounds by activated carbon based on Freundlich adsorption isotherm. [PDF]

PLoS One
Ding S, Yang Y, Tan T, Wei Q, Shen Z, Liu Q, Song X, Wang Y, Nzila C, Chow CWK.   +9 more
europepmc   +1 more source

A REVIEW ARTICLE ON QSAR APPLICATION AND ADVANCEMENT IN DRUG DESIGN

Miss. Prerna S. Deodhagale1*, Prof. Suraj P. Rajurkar2, Miss. Shruti P. Kadam3, Mr. Priyanshu Y. Chaudhari4, Miss. Sakshi B. Deshmukh5, Mr. Nikhil R. Rathod6
openalex   +1 more source

3D-QSAR Studies of Tetraoxanes Derivatives as Antimalarial Agents Using CoMFA and CoMSIA Approaches

, 2013
Taigang Liang, Luhui Ren, Qingshan Li
openalex   +2 more sources

Beyond QSARs: Quantitative Knowledge-Activity Relationships (QKARs) for enhanced drug toxicity prediction. [PDF]

Toxicol Sci
Li T, Qu Y, Chen A, Thakkar S, Li D, Tong W.   +5 more
europepmc   +1 more source

In silico-driven identification of potent CDK9 inhibitors through bioisosteric replacement and multi-stage virtual screening. [PDF]

Sci Rep
Amorim J, Altamirano L, de Souza DS, Li C, Ejaz SA, Arévalo JC.   +5 more
europepmc   +1 more source

In Silico Identification of Lepiotaprocerin C as a Promising PIM-1 Kinase Inhibitor: An Integrated Docking, Molecular Dynamics, MM/PBSA, QSAR, and ADMET Study. [PDF]

Bioinform Biol Insights
Ks K, Ibraheem FQ, Thapa S, Metri SM, Shaik S, Kurmi SPC, Chowdhury A, Mishra VK, T P.   +8 more
europepmc   +1 more source

Identification of pentacyclic triterpenes derivatives as potent inhibitors against glycogen phosphorylase based on 3D-QSAR studies

, 2011
Zhongjie Liang, Liying Zhang, Lianchun Li, Jun Liu, Hongling Li, Luyong Zhang, Limin Chen, Keguang Cheng, Mingyue Zheng, Xiaoan Wen, Pu Zhang, Hao Jia, Yanchun Gong, Xia Zhang, Xiaoyun Zhu, Jun Chen, Hong Liu, Hualiang Jiang, Cheng Luo, Hongbin Sun   +19 more
openalex   +1 more source

Mechanistically-based QSARs to Describe Metabolic Constants in Mammals [PDF]

, 2014
Alessandra Pirovano, Mark A. J. Huijbregts, Ad M.J. Ragas, Karin Veltman, A. Jan Hendriks   +4 more
openalex   +1 more source