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What other sketching software should I know about and what are your experiences with them?For Free Trials. A more comprehensive look will come later (as in, a month or two later) this post is interim notes to remind myself for later, and an invitation for readersвЂ™ comments. The existing reviews on the Net dates to 2004/5, so a fresh look at the current capabilities will be useful to the chemist community.

Locks files in proprietary CDX formats, pricey even for academic versions, never updated. ChemDraw (CambridgeSoft): the вЂњindustrial standardвЂќ (that I detest). Import, filter by, analyze and interpret chemical structures and. By PerkinElmer Informatics Lead Discovery Premium transforms TIBCO Spotfire into the premier platform for advanced chemical and biological analytics. Sort By Lead Discovery Premium powered by TIBCO Spotfire.

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The most popular versions among the software users are 9.1, 8.1 and 8.0. Not extensible (at least in my version).ChemDraw JS modularized ChemDraw functionality for the web Built on JavaScript and HTML5, ChemDraw JS can be plugged into web browsers and internal.ChemDoodle 9.1.0 is available as a free download on our software library. Closed sourced (obviously C++ code?), good bunch of templates and assets, mature interfacing with other stuff in its suite (Notebook etc.) IвЂ™ve always thought of them as the real-world equivalent of a kinetic trap.

It has a web-driven focus, with ability to export stuff (anim/struct.) as web-components to HTML5 browsers. My impression is that this is the best for now.ChemDoodles (iChemLab): a new-comer, has a uniform pricing of $60, and one that get me excited enough that I feel itвЂ™ll be a good competitor to MarvinBeans. Free for academic use (citation-ware). Very cheminformatics driven and feature-rich in that regard (Markush enumerations etc). Uses a wide variety of format. I havenвЂ™t tried the latest version since itвЂ™s maintained by Reinis Danne, so itвЂ™ll be on the to-do list.MarvinBeans (ChemAxon): Java cross-platform, comes with 3D/space visualization tools.

Great variety of input/output options.Doodles open-sources the JavaScript web-components вЂ“ itвЂ™s a little mystifying to me вЂ“ couldnвЂ™t someone just use that to make a web-app that does exactly what the retail version does? Since IвЂ™ve been playing with Google Web Toolkit, Java, and JS lately, IвЂ™ll actually give this a try when the thesis is done вЂ“ for my wikipedia work I want a simple app that does simple but rigorous MD calculations (and I think the world can use that too ). The UI of Doodle can be improved вЂ“ not hard to figure out, but my sense is that in future versions it will be more polished. The latter seems to have limitations about stereochemistry (it may be a deficiency of pubchem, or SMILES representation?), but it works, as well as spectra prediction, and funky stuff not found elsewhere like pseudo-3D rotations (as a supramolecular chemist I think this is a god-send).

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I am in general curious to crack open the JS package вЂ“ browsing through the docs, they talk about classes, but I thought JS is real low level and donвЂ™t do classesвЂ¦Table entries useful for the review: name, company, pricing (ind.), pricing (acad.), trial, platform, extensibility, source code, open source?, unique features, attached gadget suites, assets, last updated, misc comments, automatic coloring of atoms?, file formatsEdit 1: If the review is to be comprehensive, it would be useful to segregate by applications.Edit 2: In case any reader wonders вЂ” I have no contact with any of these companies or individuals, no dogs in the fight.

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