Results 161 to 170 of about 29,861 (222)

Prioritization of phytochemical isolation and characterization against HER2 as a breast cancer target based on chromatographic methods, DFT studies, 3D-QSAR analysis, and molecular docking simulations. [PDF]

RSC Adv
Lakshmi BS, Bidarur JK, Anilkumar HG, Ravindranath BS.   +3 more
europepmc   +1 more source

Protein Ligand Interaction Database ProLINT and Its Application to QSAR Analysis

, 2003
K. Kitajima, Shandar Ahmad, H. Kubodera, S. Sunada, A. Sarai   +4 more
openalex   +2 more sources

Converging XGboost Machine Learning and Molecular Docking Strategies to Identify Attractants for Ceratitis capitata: Molecular Characterization and Database Curation of Natural Ligands for In Vitro/In Vivo Tests. [PDF]

Arch Insect Biochem Physiol
Alencar Filho EB, Guimarães RP, Santos VC, Bispo ABP, Paranhos BAG, Aquino NC, Nascimento R, Oliveira Neto RF.   +7 more
europepmc   +1 more source

QSAR of [⁹⁹Tc^m(NO)Cl(PL)₂]^＋ Complexes

, 2003
Huabei Zhang, Li Bo, Dai Mei
openalex   +1 more source

QSAR of caffeines by similarity cluster prediction

Open Chemistry, 2014
Harsa Teodora, Harsa Alexandra, Szefler Beata   +2 more
doaj   +1 more source

Virtual Screening of Novel Benzothiozinone Derivatives to Predict Potential Inhibitors of Mycobacterium Tuberculosis Kinases 2D-QSAR, Molecular Docking, MM-PBSA Dynamics Simulations, and ADMET Properties. [PDF]

Int J Mol Sci
Guendouzi A, Belkhiri L, Slimani Z, Guendouzi A, Moroy G.   +4 more
europepmc   +1 more source

QSAR modeling of anxiolytic activity taking into account the presence of keto- and enol-tautomers by balance of correlations with ideal slopes

Open Chemistry, 2011
Toropova Alla., Toropov Andrey, Benfenati Emilio, Gini Giuseppina, Leszczynska Danuta, Leszczynski Jerzy   +5 more
doaj   +1 more source

Quantitative structure-activity relationship model to predict the stability constant of uranium coordination complexes for novel uranium adsorbent design. [PDF]

RSC Adv
Shin HK, Sihn Y.
europepmc   +1 more source

Investigation of 6-fluoroquinolones activity against Mycobacterium tuberculosis using theoretical molecular descriptors: a case study

Open Chemistry, 2011
Minovski Nikola, Jezierska-Mazzarello Aneta, Vračko Marjan, Šolmajer Tom   +3 more
doaj   +1 more source

Editorial: Networks and graphs in biological data: current methods, opportunities and challenges. [PDF]

Front Bioinform
Thompson DL, Wu HY, Bartlett CW, Ray WC.
europepmc   +1 more source