Results 51 to 60 of about 329 (132)

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

Porous Organic Polymers: From Molecular Design to Scalable Technologies

Small, Volume 22, Issue 46, 18 August 2026.
This review introduces porous organic polymers (POPs) for a wide range of applications, including energy storage, gas adsorption, catalysts, adsorbents, biomedical applications, sensors, and other exciting fields, and critically analyzes the synthesis and modification, and how structural topology influences the composites' architecture of POPs, along ...
Hossein Mashhadimoslem, Hadi Shayesteh, Simindokht Zarei‐Shokat, Rokhsareh Bakhtiari, Sheyda Abedi‐Banaei, Zahra Sheikhlouiharzand, Parnia Mohebimanesh, Seyed Mohammad Amin Ojagh, Bahareh Bakhtiari, Ali Maleki, Theo G. M. van de Ven, Sohrab Zendehboudi, Ali Elkamel   +12 more
wiley   +1 more source

Multicriteria decision making attributes and estimation of physicochemical properties of kidney cancer drugs via topological descriptors.

PLoS ONE
Based on topological descriptors, QSPR analysis is an incredibly helpful statistical method for examining many physical and chemical properties of compounds without demanding costly and time-consuming laboratory tests.
Mohamad Nazri Husin, Abdul Rauf Khan, Nadeem Ul Hassan Awan, Francis Joseph H Campena, Fairouz Tchier, Shahid Hussain   +5 more
doaj   +1 more source

AI in chemical engineering: From promise to practice

AIChE Journal, Volume 72, Issue 7, July 2026.
Abstract Artificial intelligence (AI) in chemical engineering has moved from promise to practice: physics‐aware (gray‐box) models are gaining traction, reinforcement learning complements model predictive control (MPC), and generative AI powers documentation, digitization, and safety workflows.
Jia Wei Chew, Ronnie Andersson, Thomas Bierweiler, Patrik Ryttestal, Torsten Wik   +4 more
wiley   +1 more source

Metronomic Chemotherapy in Ovarian Cancer: Current Scenario and AI‐Integrated Future Strategies

Cancer Reports, Volume 9, Issue 7, July 2026.
ABSTRACT Background Ovarian cancer (OC) is a globally prevalent malignancy associated with a high mortality rate and marked biological heterogeneity, with most cases arising from epithelial cells and presenting as serous, endometrioid, or clear cell subtypes.
Ravi Chauhan, Suraja Kumar Das, Lakshay Malhotra, Rajeev Goyal, Sameer Mirza, Khushi Nehra, Maysaloun Merhi, Ammira S. Al‐Shabeeb Akil, Shahab Uddin, Shweta Tripathi, Ajaz A. Bhat, Mayank Singh   +11 more
wiley   +1 more source

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

Journal of Chemical Technology &Biotechnology, Volume 101, Issue 7, Page 1420-1428, July 2026.
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

Exploring Graph Product Operations Through Eccentricity Connectivity Coindex: A Comprehensive QSPR Analysis of Octane Isomers

Journal of Mathematics
In this article, the first eccentricity connectivity coindex is introduced as ECI¯G=∑uv∉EGε2u+ε2v, in which εu denotes the eccentricity of the vertex u in the simple connected graph G.
Suha Wazzan, Gul Ozkan Kizilirmak
doaj   +1 more source

Best Practices in Physiologically Based Pharmacokinetic (PBPK) Modeling

CPT: Pharmacometrics &Systems Pharmacology, Volume 15, Issue 7, July 2026.
ABSTRACT Physiologically based pharmacokinetic (PBPK) modeling is a mechanistic cornerstone of model‐informed drug development (MIDD), providing evidence for regulatory decisions. PBPK models integrate physiological and pharmacological data and have been applied across a plethora of contexts of use, including assessing drug–drug interactions (DDIs ...
Marylore Chenel, Andre Dallmann, Ibrahim Ince, Michaela Meyer, Jan‐Frederik Schlender, Donato Teutonico, Erik Sjögren   +6 more
wiley   +1 more source

Predicting purification process fit of monoclonal antibodies using machine learning

mAbs
In early-stage development of therapeutic monoclonal antibodies, assessment of the viability and ease of their purification typically requires extensive experimentation.
Andrew Maier, Minjeong Cha, Sean Burgess, Amy Wang, Carlos Cuellar, Soo Kim, Neeraja Sundar Rajan, Josephine Neyyan, Rituparna Sengupta, Kelly O’Connor, Nicole Ott, Ambrose Williams   +11 more
doaj   +1 more source

Theoretical study on the structural effect of some organic compounds as corrosion nhibitors on mild steel in acid media

Bulletin of the Chemical Society of Ethiopia, 2009
A quantitative structure property relationship (QSPR) analysis of some organic compounds (imines or Schiff bases) is studied. The corrosion inhibition efficiencies of these imines have been studied by using AM1 (Austin model 1) Hamiltonian SCF-MO method ...
Iran Sheikhshoaie, Hossein Nezamabadipour   +1 more
doaj