Results 51 to 60 of about 25,271,406 (229)

Investigation on Quantitative Structure-Activity Relationships of 1,3,4 Oxadiazole Derivatives as Potential Telomerase Inhibitors [PDF]

, 2018
The published manuscript is available at EurekaSelect via http://www.eurekaselect.com/164022/article, DOI : 10.2174/1570163815666180724113208. © 2018 Bentham ScienceA series of 1,3,4-oxadiazole derivatives with significant broad-spectrum anticancer ...
Almerico, Anna Maria, Pecoraro, Beatrice, Tutone, Marco   +2 more
core   +2 more sources

QSPR analysis of bioconcentrating ability of individual avermectins

Химическая безопасность / Chemical Safety Science, 2020
В настоящий момент распространение коронавируса представляет собой глобальную проблему для человечества. Одним из перспективных соединений для борьбы с коронавирусом SARS-CoV-2 является ивермектин - комплекс полусинтетических производных природных авермектинов, которые уже много лет эффективно используются в медицине, ветеринарии и сельском хозяйстве ...
openaire   +1 more source

Multimodal Chromatography in the Downstream Processing of mAb‐Based Products: Mechanisms, Strategies, and Applications

Biotechnology and Bioengineering, EarlyView.
ABSTRACT Multimodal chromatography has emerged as a powerful tool for the purification of monoclonal antibodies (mAbs) and their derivatives—including antibody fragments (Fabs), Fc‐fusions, bispecific (BsAb), and antibody–drug conjugates (ADCs)—offering enhanced selectivity through the integration of ionic, hydrophobic, hydrogen‐bonding, and π–π ...
Amin Javidanbardan, Marco P․ C․ Marques, Ana M. Azevedo, Daniel G. Bracewell, Stephen Goldrick   +4 more
wiley   +1 more source

Block relevance (BR) analysis and polarity descriptors in property-based drug design

ADMET and DMPK, 2018
Block Relevance (BR) analysis is a tool to interpret QSPR/PLS models which can provide the information content of any physicochemical determinant used in property-based drug discovery; its application for the characterization of experimental polarity ...
Giuseppe Ermondi, Giulia Caron
doaj   +1 more source

The influence of chain length on the sorption of C4-C10 perfluorocarboxylic acids during transport in a sand

Journal of Hazardous Materials Letters, 2023
The impact of chain length on the retention and transport of perfluorocarboxylic acids (PFCAs) in a quartz sand was investigated. Short-chain (C4–C7: PFBA, PFPeA, PFHxA, PFHpA) and long-chain (C8–C10: PFOA, PFNA, PFDA) PFCAs were selected as a ...
Ying Lyu, Baohua Wang, Mark L. Brusseau
doaj   +1 more source

Developing (Quantitative Structure Property Relationships) QSPR Techniques to Predict the Char Formation of Polybenzoxazines [PDF]

, 2016
This study uses the Molecular Operating Environment software (MOE) to generate models to calculate the char yield of polybenzoxazines (PBz). A series of benzoxazine (Bz) monomers were constructed to which a variety of parameters relating to the structure
Hamerton, Ian, Howlin, Brendan J., Sairi, Maryam   +2 more
core   +2 more sources

Machine Learning Paradigm for Advanced Battery Electrolyte Development

Carbon Energy, EarlyView.
Electrolyte materials determine ion transport kinetics within the bulk and interphases, ultimately influencing the performance of battery systems. As data‐driven paradigms increasingly reshape materials discovery, this review provides an application‐oriented exploration of the intersection between machine learning and electrolyte science. By evaluating
Chang Su, Mengfan Pei, Keyu Chen, Xigao Jian, Fangyuan Hu   +4 more
wiley   +1 more source

Application of Inverse QSAR/QSPR Analysis for Pesticides Structures Generation

Acta Chimica Slovenica, 2019
El presente trabajo se ha centrado en la aplicación del problema inverso QSAR/QSPR para generar nuevas estructuras de plaguicidas; esto en vista de su uso extremadamente importante y generalizado en varias áreas, particularmente en el campo agrícola.
Belgacem Souyei, Abdelkader Hadj Seyd, Faouzi Zaiz, Abdelkrim Rebiai   +3 more
openaire   +4 more sources

Using generalized quantitative structure–property relationship (QSPR) models to predict host cell protein retention in ion‐exchange chromatography

Journal of Chemical Technology &Biotechnology, EarlyView.
Abstract BACKGROUND Selecting an optimal chromatography resin during biopharmaceutical downstream process development is a great challenge. This is especially the case for recombinant subunit vaccines, where product properties vary greatly and recovery often involves cell lysis, which yields a complex mixture of different host cell materials. Host cell
Tim Neijenhuis, Olivier Le Bussy, Geoffroy Geldhof, Marieke E Klijn, Marcel Ottens   +4 more
wiley   +1 more source

Eccentric indices based QSPR evaluation of drugs for schizophrenia treatment

Heliyon
Schizophrenia is a long-term, serious mental health condition that affects how a person thinks, perceives, and behaves. This disorder often results in substantial difficulties in social interactions and work performance.
Muneeba Mansha, Sarfraz Ahmad, Zahid Raza   +2 more
doaj   +1 more source