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  • iScienceSearch is the Internet search engine for chemist
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AKos ILMAC Search System (https://akoscheminformatics.de/ilmac/) is an example of an Internet search system for a special interest area. We search over all exhibitors of the 2020/2021 ILMAC. This system searches over the internal search system on the homepage of the exhibitors, and at the same time makes a Google search limited to the web pages of the exhibitors.

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AKos ChemInformatics and Biochemfusion developed a inhouse chemical database system based on RDKit and PostgreSQL. This is a multiuser system ...more

 

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is a free Chemical information System to load (Register) and search SDFiles by structure on your own (Published) website or computer...more

 

The largest glass property database SciGlass 7.7 contains data for more than
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Wendy Warr published an interresting article on the National Institutes of Health (NIH) Workshop on Reaction Informatics

Abstract

The virtual workshop took place on May 18-20, 2021. It was a follow-up from the December 2020 NIH Workshop on Ultra Large Chemistry Databases. A major theme emerging from the December 2020 workshop was the fact that all the databases of a billion or more structures are virtual. For each virtual molecule the question then arises of whether, or how, it can be synthesized. The organizers therefore assembled speakers to give presentations about how reaction-related data are represented, captured, managed in databases, analyzed, used for drug design, applied in robotics, and exchanged locally as well as globally. This report summarizes talks from 27 practitioners in the reaction informatics field. The aim is to represent as accurately as possible the information that was delivered by the speakers; the report does not seek to be evaluative. The themes, in the order used for this report, were reaction representations, file formats, and standards; sources of reaction data; AI and machine learning applications of reaction-related data in de novo drug design, synthetic accessibility, synthesis planning, reaction prediction etc.; and automation and progression toward autonomous synthesis.

see:https://chemrxiv.org/engage/chemrxiv/article-details/611cf1a6ac8b499b36458d19

Warr W. National Institutes of Health (NIH) Workshop on Reaction Informatics. ChemRxiv. Cambridge: Cambridge Open Engage; 2021; This content is a preprint and has not been peer-reviewed.

 

 

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