Results 141 to 150 of about 29,861 (222)

QSAR modeling of antiradical and antioxidant activities of flavonoids using electrotopological state (E-State) atom parameters

Open Chemistry, 2007
Ray Supratim, Sengupta Chandana, Roy Kunal   +2 more
doaj   +1 more source

Repurposing Cofilin-Targeting Compounds for Ischemic Stroke Through Cheminformatics and Network Pharmacology. [PDF]

Pharmaceuticals (Basel)
Alaqel SI, Khan A, Alanazi MN, Nayeem N, Khaled HB, Imran M.   +5 more
europepmc   +1 more source

1L1400 Protein Ligand Interaction Database PrlLINT and Its Application to QSAR Analysis

, 2002
K. Kitajima, Shandar Ahmad, Samuel Selvaraj, Hideo Kubodera, Shinji Sunada, J. An, A. Sarai   +6 more
openalex   +2 more sources

QSAR Study of Skin Sensitization Using Local Lymph Node Assay Data [PDF]

, 2004
Adam Fedorowicz, Lingyi Zheng, Harshinder Singh, Eugene Demchuk   +3 more
openalex   +1 more source

<i>In Silico</i> Frontiers Shaping the Next Generation of Transformation Product Prediction and Toxicological Assessment. [PDF]

Environ Sci Technol
Löffler P, Schymanski EL, Henschel H, Lai FY.   +3 more
europepmc   +1 more source

Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs.

, 2003
Lennart Eriksson, Joanna Jaworska, Andrew Worth, M Cronin, R.M. McDowell, Paola Gramatica   +5 more
openalex   +1 more source

Quantum Theoretic QSAR of Benzene Derivatives: Some Enzyme Inhibitors [PDF]

, 2004
Claudiu T. Supuran, Brian W. Clare
openalex   +1 more source

Computational QSAR study of novel 2-aminothiazol-4(5H)-one derivatives as 11β-HSD1 inhibitors. [PDF]

J Comput Aided Mol Des
Mądra-Gackowska K, Baumgart S, Jędrzejewski M, Studzińska R, Szeleszczuk Ł, Gackowski M.   +5 more
europepmc   +1 more source

High Throughput Screening and QSAR-3D/CoMFA: Useful Tools to Design Predictive Models of Substrate Specificity for Biocatalysts† [PDF]

, 2004
José Daniel Carballeira, M.A. Quezada, Emilio Fernández Álvarez, J.V. Sinisterra   +3 more
openalex   +1 more source

Comprehensive reexamination of the acute toxicity of nitrogen mustards: HN-1, HN-2 and HN-3 as blister agents: application of multi in silico approach. [PDF]

Arch Toxicol
Noga M, Jurowski K.
europepmc   +1 more source