Results 131 to 140 of about 6,554 (178)

Integrated <i>in silico</i>-<i>in vitro</i> and pharmacokinetic profiling of <i>Thymus vulgaris</i>-derived metabolites targeting multidrug resistance pathways in extensively drug-resistant <i>Acinetobacter baumannii</i> (muks92). [PDF]

Front Microbiol
Abdulkareem AH, Mukhles Ahmed M, Abed Latef Al-Meani S, Abdulkareem EH.   +3 more
europepmc   +1 more source

Synthesis, pharmacokinetic studies, and metabolite analysis of meridianin C in rats using a validated ultra high performance liquid chromatography-tandem mass spectrometry method. [PDF]

Front Pharmacol
Xu L, Wu Z, Ramachandraiah K, Jiang G, Zhang G.   +4 more
europepmc   +1 more source

<i>In Silico</i> and <i>In Vitro</i> Studies of Potential Novel Vitamin K Epoxide Reductase (VKOR) Inhibitors Suggest an Updated Structure-Activity Relationship. [PDF]

ACS Omega
Mortel SLR, Macalino SJY, Wang M, Tie JK.   +3 more
europepmc   +1 more source

On tricyclic graphs with maximum atom-bond sum-connectivity index. [PDF]

Heliyon
Noureen S, Batool R, Albalahi AM, Shang Y, Alraqad T, Ali A.   +5 more
europepmc   +1 more source

Molecular docking and pharmacological investigations of folenolide for its analgesic, anti-inflammatory, and antipyretic applications. [PDF]

Front Pharmacol
Ali FL, Khuda F, Khan Khalil AA, Jan A, Khan MA, Nadeem A, Rasheed A, Ali SS, Ullah A.   +8 more
europepmc   +1 more source

Leveraging molecular graphs for natural product classification. [PDF]

Comput Struct Biotechnol J
Prete AL, Corradini BT, Costanti F, Scarselli F, Bianchini M.   +4 more
europepmc   +1 more source

First multifaceted ADME profile of ACP-105 (CAS: 1048998-11-3): a novel non-steroidal selective androgen receptor modulator used as doping in sports-integrative in silico toxicological studies for clinical and forensic toxicology purposes. [PDF]

Arch Toxicol
Fijałkowska O, Jurowski K.
europepmc   +1 more source

Maximal hyper-Zagreb index of trees, unicyclic and bicyclic graphs with a given order and matching number [PDF]

Discrete Mathematics Letters, 2020
Hechao Liu, Zikai Tang
doaj  

Fate-tox: fragment attention transformer for E(3)-equivariant multi-organ toxicity prediction. [PDF]

J Cheminform
Ha S, Bang D, Kim S.
europepmc   +1 more source

Szeged Index: Formulas For Fused Bicyclic Graphs

Croatica Chemica Acta, 1997
The Szeged index (Sz) is a variant of the well known Wiener index W. It has been shown that Sz(B#) is a third order polynomial in terms of the sizes of three chains making up a fused bicyclic graph Bjy. Analytical formulas have been derived for Sz(B^).
openaire   +2 more sources