Results 101 to 110 of about 21,290 (203)

JavaScript for Cheminformatics

, 2008
Regular readers of this blog know that one of its recurring themes is the convergence of Web technologies and chemical information. Although several articles describe how Ruby and Java can be applied to cheminformatics, one language has never been featured: JavaScript. JavaScript is both the default language of the Web client, and a language of growing
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The q-RASPR approach for predicting the property and fate of persistent organic pollutants

Scientific Reports
This study presents a quantitative read-across structure-property relationship (q-RASPR) approach that integrates the chemical similarity information used in read-across with traditional quantitative structure-property relationship (QSPR) models.
Chia Ming Chang, Arkaprava Banerjee, Vinay Kumar, Kunal Roy, Emilio Benfenati   +4 more
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Cheminformatics and Molecular Modeling

Journal of Molecular and Genetic Medicine, 2015
More than fifty years have passed since the field of Quantitative Structure-Activity Relationships (QSAR) modeling was founded by Corwin Hansch [1]. Initially conceptualized as the logical extension of physical organic chemistry, QSAR modeling has grown, diversified, and evolved from application to small series of congeneric compounds using relatively ...
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Impacts of Plu kaow (Houttuynia cordata Thunb.) Ethanolic Extract on Diabetes and Dyslipidemia in STZ Induced Diabetic Rats: Phytochemical Profiling, Cheminformatics Analyses, and Molecular Docking Studies

Antioxidants
The increasing prevalence of diabetes and dyslipidemia poses significant health challenges, impacting millions of people globally and leading to high rates of illness and death.
Shaikh Shahinur Rahman, Anuwatchakij Klamrak, Napapuch Nopkuesuk, Jaran Nabnueangsap, Piyapon Janpan, Kiattawee Choowongkomon, Jureerut Daduang, Sakda Daduang   +7 more
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Cheminformatics Puzzler #1

, 2008
How can the above atropisomers be represented without using explicit 3D coordinates?
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Cheminformatics

Journal of Proteomics & Bioinformatics, 2010
Nutan Prakash, Dinta A. Gareja
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ChatMolData: A Multimodal Agent for Automatic Molecular Data Processing

Advanced Intelligent Systems
In recent years, the development of large language models (LLMs) has revolutionized various fields of natural science. However, their application in dealing with various molecular data remains constrained due to the reliance on single‐modality inputs and
Yi Yu, Huien Wang, Libin Zong, Bo Chen, Yaqin Li, Xiaohui Yu   +5 more
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Chemoinformatics p0wned by cheminformatics...

, 2008
Noel had a 40 people vote over chemoinformatics versus cheminformatics. What do you think?
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Cheminformatics in JavaScript: JChemHub

, 2010
Longtime readers of this blog know that I think JavaScript for Cheminformatics is an idea with a lot of potential. Recently, I ran across JChemHub, an open source toolkit for developing client-side cheminformatics applications. JChemHub is written from scratch in JavaScript using the Google Closure library.
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Encapsulated PostScript for Cheminformatics

, 2008
Previous articles have discussed ways to display chemical structures in a variety of vector graphics formats, including Scalable Vector Graphics (SVG), Vector Markup Language (VML), and Shockwave Flash (SWF, or “Flash”). There is one other vector graphics format still in common use that has so far not been discussed: Encapsulated PostScript (EPS). EPS
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