Results 51 to 60 of about 16,305 (230)

Revisiting Target‐Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter

Advanced Science, EarlyView.
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin, Zijie Chen, Yurong Li, Meijing Fang, Longji Shen, Yilong Su, Odin Zhang, Qinghan Wang, Qun Su, Jike Wang, Tingjun Hou, Yu Kang   +11 more
wiley   +1 more source

PSA – biomarker, mis on muutnud eesnäärmehaiguste kliinilist käsitlust [PDF]

, 2009
Prostataspetsiifi line antigeen on enim kasutatav eesnäärmehaiguste marker kliinilises meditsiinis, mille tähtsus prostata biomarkerina avastati 1979. aastal. Oluline on teada, et PSA on eesnäärme-, mitte kasvajaspetsiifi line marker.
Ausmees, Kristo, Žarkovski, Mihhail
core   +2 more sources

Decoupling Intrinsic Molecular Efficacy From Platform Effects: An Interpretable Machine Learning Framework for Unbiased Perovskite Passivator Discovery

Advanced Science, EarlyView.
This study establishes an interpretable machine learning framework that disentangles the intrinsic molecular efficacy of passivators from experimental platform effects—enabling unbiased, high‐throughput discovery of effective perovskite surface modifiers.
Jing Zhang, Ziyuan Li, Shan Gao, Zhen Zhu, Jing Wang, Xiangmei Duan   +5 more
wiley   +1 more source

Linking existing in vitro dermal absorption data to physicochemical properties: Contribution to the design of a weight-of-evidence approach for the safety evaluation of cosmetic ingredients with low dermal bioavailability. [PDF]

, 2016
To characterize the risk of cosmetic ingredients when threshold toxicity is assumed, often the "margin of safety" (MoS) is calculated. This uncertainty factor is based on the systemic no observable (adverse) effect level (NO(A)EL) which can be derived ...
Ates, G, Doktorova, TY, Madden, JC, Rogiers, V, Steinmetz, FP   +4 more
core   +1 more source

Exploration of the Value of Combined UA, IL-6, and fPSA/tPSA in the Diagnosis of Prostate Cancer

Computational and Mathematical Methods in Medicine, 2022
Objective. To investigate the differences in uric acid (UA), interleukin-6 (IL-6), and free prostatic-specific antigen (fPSA)/total prostatic-specific antigen (tPSA) (F/T) between patients with and without prostate cancer (PCa) in order to discover the value of the three indicators in improving PCa diagnostic accuracy. Methods.
Qionghua Tang, Zhijiang Liang, Yingchun Zhou, Yihui Huang   +3 more
openaire   +2 more sources

Decoding Tattoo and Permanent Makeup Pigments: Linking Physicochemical Properties to Absorption, Distribution, Metabolism, and Elimination Profiles Using Quantitative Structure–Activity Relationship (QSAR)‐Based New Approach Methodologies (NAMs)

Advanced Intelligent Discovery, EarlyView.
This study applies QSAR‐based new approach methodologies to 90 synthetic tattoo and permanent makeup pigments, revealing systemic links between their physicochemical properties and absorption, distribution, metabolism, and elimination profiles. The correlation‐driven analysis using SwissADME, ChemBCPP, and principal component analysis uncovers insights
Girija Bansod, Ajay Vikram Singh, Preeti Bhardwaj, Tulika Rai, Sweta Vijay Nakhale, Amruta Shelar, Rajendra Patil, Peter Laux, Andreas Luch, Christopher J. Osgood, Michael W. Stacey   +10 more
wiley   +1 more source

Pharmacological evaluation of Adenostemma lavenia acetone extract in Swiss Albino mice: Analgesic, anti‐inflammatory, and thrombolytic insights from in vivo, in vitro, density functional theory, and molecular docking studies

Animal Models and Experimental Medicine, EarlyView.
Adenostemma lavenia, a traditionally used medicinal plant, has been employed to manage pain, inflammation, and circulatory issues. This study investigates the analgesic, anti‐inflammatory, and thrombolytic potentials of the acetone extract of A. lavenia leaves (AEAL) using in vivo, in vitro, and in silico methods.
Nusrat Jahan Moon, Mahathir Mohammad, Md. Jahirul Islam Mamun, Fahmina Binty Azim Nova, Nazmul Hasan Eshaque, Md. Hossain Rasel, Zobayed Islam, Md. Mahmudul Hasan, Md. Liakot Ali, Md. Tanvir Chowdhury, S. M. Moazzem Hossen   +10 more
wiley   +1 more source

Improvement of two-way continuous-variable quantum key distribution with virtual photon subtraction

, 2017
We propose a method to improve the performance of two-way continuous-variable quantum key distribution protocol by virtual photon subtraction. The Virtual photon subtraction implemented via non-Gaussian post-selection not only enhances the entanglement ...
Guo, Hong, Li, Zhengyu, Yu, Song, Zhang, Yi-Chen, Zhao, Yijia   +4 more
core   +1 more source

Prostate-specific antigen clearance after surgery for benign prostate enlargement in a cohort with median prostate-specific antigen greater than 4ng/ml

BMC Urology
Background Total prostate-specific antigen (tPSA) could be elevated in some cases of benign prostate enlargement (BPE). The aim of this study is to evaluate tPSA clearance after surgery for BPE with histologic confirmation of nodular hyperplasia. Methods
Ekeoma O Nwosu, Okezie M Mbadiwe, Njideka I Nwosu, Chinwe A Nnabugwu, Ikenna N Anakebe, Israel S Osaat, Ikenna I Nnabugwu   +6 more
doaj   +1 more source

Racial influence on the prevalence of prostate carcinoma in Brazilian volunteers

International Brazilian Journal of Urology, 2003
PURPOSE: To investigate the prevalence of prostate carcinoma in a sample of volunteers known to have a large proportion of Bantu African ancestors, and the performance of total PSA (tPSA), PSA density (PSAD) and free-to-total PSA ratio (f/tPSA) on the ...
Edson L Paschoalin, Antonio C.P Martins, Mônica Pastorello, Kiyoko A Sândis, Lea M.Z Maciel, Wilson A Silva Jr, Marcos A Zago, José Bessa Jr   +7 more
doaj   +1 more source