Results 101 to 110 of about 30,899 (248)

Development of an Efficient and Scalable Process for Preparing Timolol N‐Nitrosamine Impurities B, C, E, H, I, J, and Their ADMET Evaluation

Journal of Heterocyclic Chemistry, EarlyView.
N‐nitrosamine impurities (B, C, E, H, I, J) of timolol maleate are easily synthesized from diethyl malonate and 3,4‐dichloro‐1,2,5‐thiadiazole. Good yields and precise impurity profiling are made possible by the effective technique, which also ensures pharmaceutical safety and strengthens regulatory compliance.
Kottolla Sai Prasad, Chithaluri Sudhakar, Vijaya Krishna Ravi, Bijaya Kethan Sahoo   +3 more
wiley   +1 more source

Compound physicochemical and ADME characterization.

Compound physicochemical and ADME characterization.
Hadia Almahli (8099222), Mohamed Farouk Hamissa (18127425), Eslam B. Elkaeed (9952518), Mahmoud A. El Hassab (9952515), Mahmoud A. Noamaan (18127422), Ahmed Sabt (5450795), Abdalkareem Nael Maslamani (18127428), Moataz A. Shaldam (12429873), Wagdy M. Eldehna (4260952), Taghreed A. Majrashi (5991263)   +9 more
core   +1 more source

Improving early drug discovery through ADME modeling: an overview

, 2007
Drug development is an intrinsically risky business. Like a high stakes poker game the entry costs are high and the probability of winning is low. Indeed, only a tiny percentage of lead compounds ever reach US FDA approval.
Wishart, David S.
core   +1 more source

Estimated ADME properties, neuroactivity, and toxicity profile of screened leads.

, 2022
Estimated ADME properties, neuroactivity, and toxicity profile of screened leads.
Bikash Medhi (3908917), Harvinder Singh (2795035), Ajay Prakash (8688492), Nishant Shekhar (8855216), Anupam Raja (12598318)   +4 more
core   +1 more source

AI‐Driven Synthesis in Medicinal Chemistry: Integrating Large Language Models, Robotic Automation, and Sustainability Metrics to Accelerate Drug Discovery

Medicinal Research Reviews, EarlyView.
ABSTRACT Artificial intelligence (AI) is transforming synthetic chemistry from task‐specific predictors into integrated platforms that unify retrosynthesis, reaction optimization, and closed‐loop robotic automation. This review highlights how AI‐assisted planning and robotic execution shorten cycle times, reduce step counts, and improve route ...
Amit Gangwal, Antonio Lavecchia
wiley   +1 more source

Multi-task ADME/PK Prediction at Industrial Scale: Leveraging Large and Diverse Experimental Datasets

ADME (Absorption, Distribution, Metabolism, Excretion) properties are key parameters to judge whether a drug candidate exhibits a desired pharmacokinetic (PK) profile.
Jens Markus, Borghardt, Miha, Skalic, Lina, Humbeck, Moritz, Walter   +3 more
core   +1 more source

The continuing significance of chiral agrochemicals

Pest Management Science, Volume 81, Issue 4, Page 1697-1716, April 2025.
In the time frame 2018–2023, around 43% of the 35 chiral agrochemicals introduced to the market (herbicides, fungicides, insecticides, acaricides, and nematicides) contain one or more stereogenic centers in the molecule, and almost 69% of them have been marketed as racemic mixtures of enantiomers or stereoisomers.
Peter Jeschke
wiley   +1 more source

A narrative review of ADME testing platforms

V zadnjem času je bil dosežen pomemben napredek pri razvoju ADME (absorpcija, distribucija, metabolizem, ekskrecija) modelov, vendar izziv ostaja vzpostaviti platforme, ki bi zmanjšale testiranje na živalih in stroške raziskav.
Vihar, Boštjan, Maver, Uroš, Maver, Tina   +2 more
core   +1 more source

What ADME tests should be conducted for preclinical studies?

, 2013
The pharmaceutical industry has been evolving in recent years, which made numerous CROs and biotech companies conducting drug discovery and development programs and services in China.
Wan, Hong, Hong Wan
core   +1 more source

In silico Exploration of Pharmacological and Molecular Descriptor Properties of Salacinol and Its Related Analogues

Journal of the Turkish Chemical Society, Section A: Chemistry
Salacinol and its related analogues have been known for their potent α-glucosidase inhibitor activity and making them interesting candidates for a new type of anti-diabetic agent.
Yousif Hussein, Idrees Mohammed Ahmed, Yousif Aziz   +2 more
doaj   +1 more source