Results 61 to 70 of about 2,775 (180)
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 +6 more
wiley +1 more source
MULTIVARIATE LINEAR QSPR/QSAR MODELS: RIGOROUS EVALUATION OF VARIABLE SELECTION FOR PLS
Computational and Structural Biotechnology Journal, 2013 Basic chemometric methods for making empirical regression models for QSPR/QSAR are briefly described from a user's point of view. Emphasis is given to PLS regression, simple variable selection and a careful and cautious evaluation of the performance of ...
Kurt Varmuza +2 more
doaj +3 more sources
Modelling Flavour Release through Quantitative Structure Property Relationships (QSPR)
CHIMIA, 2001 The use of QSPR to explain the partition behaviour of flavour compounds in different matrices and to predict dynamic flavour release from certain food systems is described.
Andrew J. Taylor, Robert S.T. Linforth
doaj +2 more sources
Combining QSPR modeling and the VIKOR method to rank opioid analgesic drugs via topological indices
Results in ChemistryOpioid analgesic drugs are widely used in modern medicine for pain management, anesthesia, and palliative care, making the study of their physicochemical properties essential for drug design and optimization.
Geethu Kuriachan, Parthiban A.
doaj +1 more source
Brazilian Journal of Pharmaceutical Sciences, 2010 Drugs acting on the central nervous system (CNS) have to cross the blood-brain barrier (BBB) in order to perform their pharmacological actions. Passive BBB diffusion can be partially expressed by the blood/brain partition coefficient (logBB).
Matheus Malta de Sá +2 more
doaj +1 more source
An Atom Counting QSPR Protocol
, 2006 35 pages, 10 figures, 10 ...
Giri, S. +4 more
openaire +2 more sources
CombinatorixPy: Advancing mixture descriptors for computational chemistry
SoftwareXQuantitative Structure-Activity/Property Relationship (QSAR/QSPR) is a machine learning approach to predict chemical and physical properties of pure compounds; however, it has limited application in multi-component compounds.
Rahil Ashtari Mahini +4 more
doaj +1 more source
QSPR analysis of distance-based structural indices for drug compounds in tuberculosis treatment
HeliyonTuberculosis (TB) is one of the most contagious diseases that has a greater mortality rate than HIV/AIDS and the cases of TB are feared to rise as a repercussion of the COVID-19 pandemic.
Micheal Arockiaraj +6 more
doaj +1 more source
Eccentric indices based QSPR evaluation of drugs for schizophrenia treatment
HeliyonSchizophrenia 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 +2 more
doaj +1 more source
New N-aryloxy-phthalimide derivatives. Synthesis, physico-chemical properties, and QSPR studies
Open Chemistry, 2010 Tudose Madalina +7 more
doaj +1 more source