Results 51 to 60 of about 36,144 (247)

Zenodo copy of generic-qsar-py-utils (version 0.21)

, 2016
<p>This is a Zenodo copy of generic-qsar-py-utils (version 0.21), for which the latest version can be found here: https://github.com/RichardLMR/generic-qsar-py-utils</p ...
Richard L. Marchese Robinson (5273902), Richard L. Marchese Robinson   +1 more
core   +1 more source

Synthesis and biological evaluation of novel (E)-N'-benzylidene hydrazides as novel c-Met inhibitors through fragment based virtual screening

Journal of Enzyme Inhibition and Medicinal Chemistry, 2020
C-Met plays a crucial role in the development and progression of neoplastic disease. Type II c-Met inhibitors recognise the inactive DFG-out conformation of the kinase, result in better anti-tumour effects due to synergistic effect against the other ...
Jing-wei Liang, Shi-long Li, Shan Wang, Wan-qiu Li, Fan-hao Meng   +4 more
doaj   +1 more source

Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for rat chronic LOAEL. Q13-414-0035. Molcode Ltd., 2010.

, 2020
This QSAR model corresponds to the QMRF Q13-414-0035 "QSAR for rat chronic LOAEL" from the JRC QSAR Model ...

core   +1 more source

QSPR-driven prediction of analyte permeability for advancing CP-MIMS applications

Green Analytical Chemistry
Condensed Phase-Membrane Introduction Mass Spectrometry (CP-MIMS) is a sustainable and highly versatile approach within the framework of Direct Mass Spectrometry techniques, which enables real-time determination of target analytes by integrating sampling,
Enmanuel Cruz Muñoz, Veronica Termopoli, Davide Ballabio, Marco Orlandi, Viviana Consonni   +4 more
doaj   +1 more source

Bridging the translational gap in clinical nanomedicine: From rational design to clinical reality

BMEMat, EarlyView.
Nanotechnology offers a multi‐faceted approach to modern healthcare, encompassing high‐sensitivity diagnostic imaging, innovative vaccine delivery, and targeted therapeutics. This review explores how these nanomedicine applications address critical challenges in cancer recurrence and the treatment of neurologic and respiratory diseases to combat rising
Ahmed H. Ghonaim, Marwa Ahmed El‐Naka, Wedad M. Nageeb, Atta Ullah Khan, Noura M. Seleem, Aliaa Abdelghafar, Doaa Zamel, Yang Liu, Qigai He, Wentao Li   +9 more
wiley   +1 more source

Molecular Modeling and Receptor-Dependent (RD) 3D-QSAR Approach to a Set of Antituberculosis Derivatives

, 2015
Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)In this study, receptor-dependent (RD) 3D-QSAR models were built for a set of thirty-seven isoniazid derivatives bound to the enoyl-acp reductase from M.
Ferreira, MMC, Pasqualoto, KFM
core   +1 more source

Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for human serum albumin binding. Q13-59-0008. Molcode Ltd., 2009.

, 2020
This QSAR model corresponds to the QMRF Q13-59-0008 "QSAR for human serum albumin binding" from the JRC QSAR Model ...

core   +1 more source

Hepatotoxicity Modeling Using Counter-Propagation Artificial Neural Networks: Handling an Imbalanced Classification Problem

Molecules, 2020
Drug-induced liver injury is a major concern in the drug development process. Expensive and time-consuming in vitro and in vivo studies do not reflect the complexity of the phenomenon.
Benjamin Bajželj, Viktor Drgan
doaj   +1 more source

Advancing Safety and Sustainability in Nanomaterials Industry: Methodological, Business, and Regulatory Implications

Business Strategy and the Environment, EarlyView.
ABSTRACT The rapid proliferation of chemicals and nanomaterials (CNMs) has resulted in significant cross‐sector innovation, delivering product enhancements such as improved UV protection and waterproof textiles. However, these advances present urgent challenges regarding human safety, environmental hazards, and regulatory compliance. Despite the recent
Alessandra Fiorucci, Mario Miozza, Genc Alimehmeti, Alessandra Bonoli, Angelo Paletta   +4 more
wiley   +1 more source

Gramatica, P.; Papa, E. An Update of the BCF QSAR Model Based on Theoretical Molecular Descriptors. QSAR Comb. Sci. 2005, 24, 8, 935–960.

, 2014
An inspection of an already developed QSAR model is necessary to verify the reproducibility of the model itself, and its present applicability to new chemicals, if a version of calculation software for theoretical molecular descriptors is updated. A QSAR

core   +1 more source