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Cheminformatics 2.0

A blog about chemical information software for next generation computing environments.

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WebMolKit: now with Apache for all 26-Jul-2022
WebMolKit Sketcher 30-May-2021
Call for papers: cheminformatics workflows 8-May-2021
Mixtures: a collection of online presentations 2-May-2021
Coordination InChI for inorganics: now with stereochemistry 18-Oct-2020
Online mixtures demo, with MInChI generator 11-May-2020
Adding in anti-viral model for COVID-19 predictions 2-Apr-2020
More cheminformatics from quarantine: reaction transforms and atomic Bayesians 29-Mar-2020
Cheminformatics from quarantine: some interactive COVID-19 resources 28-Mar-2020
Mapping drug target ontologies in BioAssay Express: a narrow use case for Excel 19-Mar-2020

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WebMolKit: now with Apache for all cheminf20.org/2022/07/26/web… 7 months ago
RT @AdeleneLai: ⚡️‼️OUT NOW‼️⚡️ The Next Frontier of Environmental Unknowns: #UVCBs #OpenAccess @EnvSciTech review by @AdeleneLai @aclarkx… 10 months ago
My slides from #ACSCINF yesterday: Mixtures QSAR slideshare.net/aclarkxyz/mixt… 1 year ago
RT @BioInorgChem_UW: Since talk after mine got canceled just had almost 60 min to discuss with @aclarkxyz and other #cheminf symposium part… 1 year ago
Vault Snack #16 – CDD Vault Supports Mixtures as Chemically-Aware Data Structures - Collaborative Drug Discovery In… twitter.com/i/web/status/1… 1 year ago

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Trivia: Green Solvents splash page

In case anyone is wondering about the image is behind the splash screen for the Green Solvents app:

… it’s a picture of the hop plant growing on my balcony. The flowers that it produces in late summer find their way into delicious homebrew.

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4-Jul-20116-Jul-2011 Dr. Alex M. Clark

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