Machine learning meets with metal organic frameworks for gas storage and separation

C Altintas, OF Altundal, S Keskin… - Journal of Chemical …, 2021 - ACS Publications
The acceleration in design of new metal organic frameworks (MOFs) has led scientists to
focus on high-throughput computational screening (HTCS) methods to quickly assess the …

Computational pharmaceutics-A new paradigm of drug delivery

W Wang, Z Ye, H Gao, D Ouyang - Journal of Controlled Release, 2021 - Elsevier
In recent decades pharmaceutics and drug delivery have become increasingly critical in the
pharmaceutical industry due to longer time, higher cost, and less productivity of new …

Adaptation of high-throughput screening in drug discovery—toxicological screening tests

P Szymański, M Markowicz… - International journal of …, 2011 - mdpi.com
High-throughput screening (HTS) is one of the newest techniques used in drug design and
may be applied in biological and chemical sciences. This method, due to utilization of …

In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling

S Ekins, J Mestres, B Testa - British journal of pharmacology, 2007 - Wiley Online Library
Pharmacology over the past 100 years has had a rich tradition of scientists with the ability to
form qualitative or semi‐quantitative relations between molecular structure and activity in …

PharmSD: A novel AI-based computational platform for solid dispersion formulation design

J Dong, H Gao, D Ouyang - International Journal of Pharmaceutics, 2021 - Elsevier
Solid dispersion is an effective way to improve the dissolution and oral bioavailability of
water-insoluble drugs. To obtain an effective solid dispersion formulation, researchers need …

[書籍][B] Pharmacoeconomics: from theory to practice

RJG Arnold - 2016 - taylorfrancis.com
The pharmaceutical industry is almost boundless in its ability to supply new drug therapies,
but how does one decide which are the best medicines to use within restricted budgets …

Controlled release of amoxicillin from bacterial cellulose membranes

RD Pavaloiu, A Stoica, M Stroescu, T Dobre - Central European Journal of …, 2014 - Springer
Bacterial cellulose (BC), a natural polymer with unique physical and mechanical properties,
has several applications in the biomedical field, including drug loading and controlled drug …

Absorption, distribution, metabolism, excretion, and toxicity evaluation in drug discovery. 14. Prediction of human pregnane X receptor activators by using naive …

H Shi, S Tian, Y Li, D Li, H Yu, X Zhen… - Chemical Research in …, 2015 - ACS Publications
The activation of pregnane X receptor (PXR), a member of the nuclear receptor (NR)
superfamily, can mediate potential drug–drug interactions, and therefore, prediction of PXR …

Future directions for drug transporter modelling

S Ekins, GF Ecker, P Chiba, PW Swaan - Xenobiotica, 2007 - Taylor & Francis
Since the late 1980s computational methods such as quantitative structure–activity
relationship (QSAR) and pharmacophore approaches have become more widely applied to …

Analysis of fluidized bed granulation process using conventional and novel modeling techniques

J Petrović, K Chansanroj, B Meier, S Ibrić… - European journal of …, 2011 - Elsevier
Various modeling techniques have been applied to analyze fluidized-bed granulation
process. Influence of various input parameters (product, inlet and outlet air temperature …