Results 31 to 40 of about 803,380 (297)

Skeletal reorganization divergence of N-sulfonyl ynamides

Nature Communications, 2020
Skeletal reorganizations are intriguing processes in chemical synthesis due to their mechanism, atom-economy and synthetic versatility. Herein, the authors describe a divergent skeletal reorganization of N-sulfonyl ynamides to thiete sulfones and ...
Linwei Zeng, Yuxin Lin, Jiaming Li, Hironao Sajiki, Hujun Xie, Sunliang Cui   +5 more
doaj   +1 more source

Personalized medicine : the impact on chemistry [PDF]

, 2010
An effective strategy for personalized medicine requires a major conceptual change in the development and application of therapeutics. In this article, we argue that further advances in this field should be made with reference to another conceptual shift,
Marsh, Andrew, Singer, Donald R. J., Taylor, Paul C., Watkins, John   +3 more
core   +1 more source

Explaining and avoiding failure modes in goal-directed generation of small molecules

Journal of Cheminformatics, 2022
Despite growing interest and success in automated in-silico molecular design, questions remain regarding the ability of goal-directed generation algorithms to perform unbiased exploration of novel chemical spaces.
Maxime Langevin, Rodolphe Vuilleumier, Marc Bianciotto   +2 more
doaj   +1 more source

Virtual screening strategies in drug design – methods and applications [PDF]

, 2011
Virtual screening (VS) overcomes the limitations of traditional high-throughput screening (HTS) by applying computer-based methods in drug discovery. VS takes advantage of fast algorithms to filter chemical space and successfullyselect potential drug ...
Bielska, Ewa, Bujnicki , Janusz M., Czerwoniec, Anna, Kaminska, Katarzyna H., Kasprzak, Joanna M., Lucas, Xavier   +5 more
core   +3 more sources

A multilayer network approach for guiding drug repositioning in neglected diseases [PDF]

, 2016
Drug development for neglected diseases has been historically hampered due to lack of market incentives. The advent of public domain resources containing chemical information from high throughput screenings is changing the landscape of drug discovery for
Berenstein, Ariel José, Chernomoretz, Ariel, Fernandez Aguero, Maria Jose, Magariños, María Paula   +3 more
core   +3 more sources

Computer-Aided Drug Design and Drug Discovery

Pharmaceuticals
In the rapidly evolving landscape of pharmaceutical research, the integration of computational methods has become a cornerstone in drug discovery and development efforts [...]
Dragos Paul Mihai, George Mihai Nitulescu   +1 more
openaire   +3 more sources

Design and discovery of boronic acid drugs

European Journal of Medicinal Chemistry, 2020
Research related to boronic acids, from synthetic development to materials to drug discovery, has skyrocketed in the past 20 years. In terms of drug discovery, the incorporation of boronic acids into medicinal chemistry endeavours has seen a steady increase in recent years. In fact, the Food and Drug Administration (FDA) and Health Canada have thus far
Jessica, Plescia, Nicolas, Moitessier
openaire   +3 more sources

MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules

Journal of Cheminformatics, 2023
Artificial intelligence (AI)-based molecular design methods, especially deep generative models for generating novel molecule structures, have gratified our imagination to explore unknown chemical space without relying on brute-force exploration. However,
Xiaohong Liu, Wei Zhang, Xiaochu Tong, Feisheng Zhong, Zhaojun Li, Zhaoping Xiong, Jiacheng Xiong, Xiaolong Wu, Zunyun Fu, Xiaoqin Tan, Zhiguo Liu, Sulin Zhang, Hualiang Jiang, Xutong Li, Mingyue Zheng   +14 more
doaj   +1 more source

Selective Substitution of 31/42–OH in Rapamycin Guided by an in Situ IR Technique

Molecules, 2014
An in situ IR technique was applied in the selective synthesis of the key intermediate for rapamycin derivatives, which made the reaction endpoint easily defined.
Shuang Cao, Xinbo Zhou, Yuanshuai Yang, Wu Zhong, Tiemin Sun   +4 more
doaj   +1 more source

Survival Outcomes and Complications Among Canadian Children With Retinoblastoma: A Population‐Based Report From CYP‐C

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Purpose Retinoblastoma (RB) is the most common pediatric ocular cancer, yet population‐based data on survival and risk factors remain limited. This study aimed to describe survival in a large national RB cohort and identify predictors of death and complications.
Samuel Sassine, Ofélie Trudeau‐Ferrin, Caroline Laverdière, Patrick Hamel, Rosanne Superstein, Bénédicte Koukoui, Carole Provost, Paul C. Nathan, Vijay Ramaswamy, Furqan Shaikh, Brenda Gallie, Ashwin Mallipatna, Stephanie Kletke, Helen Dimaras, Hallie Coltin   +14 more
wiley   +1 more source