Green & Sustainable Chemistry Resources

The ACS GCI Pharmaceutical Roundtable is dedicated to developing high quality tools and metrics that promote green chemistry and engineering in the industry and minimize duplication of effort. Tools are vetted by Roundtable members prior to their release to the public. Teams form around the development and continued enhancement of a tool, or at times, topical teams will develop a tool (e.g., the Analytical Team is currently developing a tool).

DeepMind and EMBL’s European Bioinformatics Institute (EMBL-EBI) have partnered to create AlphaFold DB to make these predictions freely available to the scientific community. The latest database release contains over 200 million entries, providing broad coverage of UniProt (the standard repository of protein sequences and annotations). We provide individual downloads for the human proteome and for the proteomes of 47 other key organisms important in research and global health. We also provide a download for the manually curated subset of UniProt (Swiss-Prot).

The ComPlat (Compound Platform) project is developing freely available infrastructure resources for management of research data through the development of two independent, but closely compatible, IT systems namely: Chemotion ELN - an electronic laboratory notebook (ELN), and Chemotion Repository - a data repository for Chemistry available on the web.
With the ELN, it is possible to integrate state-of-the-art Research Data Management techniques into the routine work of academic researchers, thereby improving the data that is obtained as well as the quality of information that is published. The ELN is complemented by the Repository, to which it can be connected directly for fast, easy and secure transfer of selected research information for sharing and archiving. Free access and free use by academic researchers is one principle of this project allowing and promoting collaborative work and scientific exchange among scientists.

The DOZN™ tool is a free, quantitative, industry-first tool that uses the 12 principles of green chemistry for comparing the relative greenness of similar chemicals, synthetic routes, and chemical processes.

GreenScreen® for Safer Chemicals is a method of comparative Chemical Hazard Assessment (CHA) that can be used for identifying chemicals of high concern and safer alternatives. GreenScreen was developed by and is a project of Clean Production Action.

Labconscious is an open resource and blog for the life science community to reduce laboratory waste, use green chemistry, conserve water and save energy.

Mylab lab management is a free online service to manage labs and lab members. Its main features include; Creating, editing and removal of labs, set default permissions for lab members for administrating and using of shared resources, lab inventory, and lab protocols.

ORD is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. The data, schema, supporting code, and web-based user interfaces are all publicly available on GitHub.
Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.

Pharos provides resources to assess human and environmental health hazards of chemicals and building materials, plus tools to collaborate to find safer alternatives. The goal of this effort is to reduce the use of hazardous chemicals and improve the inherent safety of materials and products.

Registration page from link.
ACS 2023 article :
AI4Green: An Open-Source ELN for Green and Sustainable Chemistry
Samuel Boobier, Joseph C. Davies, Ivan N. Derbenev, Christopher M. Handley, and Jonathan D. Hirst
Journal of Chemical Information and Modeling 2023 63 (10), 2895-2901
DOI: 10.1021/acs.jcim.3c00306
https://pubs.acs.org/doi/10.1021/acs.jcim.3c00306

The Lab Solvents app provides a reference collection of common solvents, represented by name and chemical structure. The solvents have associated physical properties and safety, health and environmental ratings. They can be filtered by properties, searched by name, and sorted by structural similarity.