diff --git a/content/community/blogs/ASAPxPolarisxADMET_BlindChallenge.md b/content/community/blogs/ASAPxPolarisxADMET_BlindChallenge.md deleted file mode 100644 index 465086b..0000000 --- a/content/community/blogs/ASAPxPolarisxADMET_BlindChallenge.md +++ /dev/null @@ -1,34 +0,0 @@ ---- -title: ASAP x Polaris x OpenADMET Blind Challenge -menu: "ASAP x Polaris x OpenADMET Blind Challenge" -name: "ASAP x Polaris x OpenADMET Blind Challenge" -class: "ASAP x Polaris x OpenADMET Blind Challenge" -intro: "Read this blog on our recent ASAP x Polaris x OpenADMET Blind Challenge." -part: 20 ---- - -#### Benchmark your models on real world drug discovery data -##### Published: 14 Jan, 2024; 2 minute read - -## Advancing Open Science with ASAP Discovery, OpenADMET and Polaris -OpenADMET is proud to collaborate with the ASAP Discovery Consortium and Polaris benchmarking platform to launch an exciting computational blind challenge in small molecule drug discovery. This challenge represents a unique opportunity for researchers to tackle real-world drug discovery problems and demonstrate cutting-edge approaches in molecular modeling and prediction. This challenge aligns perfectly with OMSF’s and OpenADMET’s missions, leveraging the expertise and data from the ASAP Discovery Consortium to foster community-driven innovation in open science and evaluate models on ADMET endpoints. - -## The Challenge -Participants will work on real-world data from ASAP Discovery’s antiviral programs targeting SARS-CoV-2 and MERS-CoV main proteases (Mpro). - -The challenge includes three sub-tasks: - -Potency Prediction: Forecast drug potency for a blind compound set. - -ADMET Properties: Predict critical absorption, distribution, metabolism, excretion, and toxicity endpoints. - -Ligand Posing: Generate accurate ligand poses for MERS-CoV Mpro and SARS-CoV-2 Mpro based on SARS-CoV-2 Mpro training data. - -Each task uses experimental data from world-class institutions like the Weizmann Institute, the University of Oxford, and industry standard contract research organisations. - -The [Polaris blog post](https://polarishub.io/blog/antiviral-competition) announcing the challenge is a great place to get started. - -## How to Participate -The competition runs January 13 to March 10, 2025. Champions will present at the NIH AViDD ASAP [Open Science Forum](https://asapdiscovery.org/forum/), and everyone is invited to help co-author the final publication. Join individually or form teams—collaboration is encouraged! Learn more and dive into the challenge details [here](https://polarishub.io/competitions). - -Open science thrives on community effort. We can’t wait to see how your creativity and expertise will shape the future of antiviral drug discovery! \ No newline at end of file diff --git a/content/community/blogs/WhatIsOpenADMET.md b/content/community/blogs/WhatIsOpenADMET.md deleted file mode 100644 index 6623abb..0000000 --- a/content/community/blogs/WhatIsOpenADMET.md +++ /dev/null @@ -1,27 +0,0 @@ ---- -title: What is OpenADMET? -menu: "What is OpenADMET?" -name: "What is OpenADMET?" -class: "What is OpenADMET?" -intro: "Read this blog to learn about the OpenADMET project, current efforts, and the organizations involved." -part: 20 ---- - -#### OpenADMET is an open effort to build predictive models of ADMET properties -##### Published: 6 Aug, 2025; 2 minute read - -Small molecule therapies have always been and continue to be the dominant way we treat diseases worldwide. Small molecules have unique advantages such as cost, scalability, convenience, the ability to get into every organ/cell and modulate a wide variety of targets/mechanisms – especially as compared to other modalities like antibodies, RNA, and genetic medicines. However, those advantages also give rise to the idiosyncratic and unpredictable properties that pose challenges in drug development, such as where in the body these drugs get to, in what amounts, for how long, and how they interact with unintended targets to cause safety issues. The ability to predict these properties, which are collectively called ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) properties, from small molecule structure would broadly enable small molecule drug discovery and development. - -OpenADMET is an open effort to build predictive models of ADMET properties and understand the mechanisms by which they arise. This means systematically characterizing the proteins and mechanisms that give rise to these properties (protein structures and scaled functional and genetic assays), understanding how small molecules interact with these mechanisms (through high-throughput nanoscale chemistry to explore/exploit chemical space), and integrative computational models (AI/ML ligand/structural, mechanistic, and physiological modeling). - -We see our role as a guide to the community by developing open datasets and computational models. One way to ignite innovation in ADMET modeling is through community blind challenges. Blind challenges can provide accurate benchmarks of current performance and help us understand how much we have left to achieve. The paragon example is the CASP challenge that set up conditions for the “AlphaFold” breakthrough in protein structure prediction. For ADMET challenges, we plan on using both our generated data on anti-targets of broad interest and ADMET data donated from the community, as we did in our first challenge with the ASAP AViDD center. - -OpenADMET is a nascent coalition of aligned efforts funded by different organizations. It will be governed by a board and be administered by the Open Molecular Software Foundation (OMSF). Our projects currently involve personnel at OMSF, UCSF, Octant, and MSKCC. Our initial funding is through an ARPA-H grant: “AVOID-OME”. Since then, we’ve additionally been funded by the Gates Foundation & Schrodinger, to expand into toxicity and fundamental molecular properties, and by the Astera Institute, to expand our metabolism dataset coverage. We are hard at work on these efforts, and please stay tuned as we begin to launch some new competitions and ways to get involved over the next year. - -Welcome to OpenADMET! - -Feel free to contact us at [openadmet@omsf.io](mailto:openadmet@omsf.io). - - - - diff --git a/content/community/blogs/_index.md b/content/community/blogs/_index.md index 686f2c3..2f5dfb4 100644 --- a/content/community/blogs/_index.md +++ b/content/community/blogs/_index.md @@ -4,6 +4,4 @@ menu: "blogs" name: "Blogs" class: "blogs" layout: community ---- - -**Here you can find blogs from our team members on current research topics in AI, OpenADMET events, and details about the life as a scientist/engineer working on open-source software.** +--- \ No newline at end of file diff --git a/themes/hugo-kiera-master/config.toml b/themes/hugo-kiera-master/config.toml index 1291fd2..30b0ff1 100644 --- a/themes/hugo-kiera-master/config.toml +++ b/themes/hugo-kiera-master/config.toml @@ -57,7 +57,7 @@ section = ["HTML", "RSS", "JSON"] [[menu.main]] identifier = "blogs" name = "Blogs" - url = "/community/blogs" + url = "https://openadmet.ghost.io/" parent = "community" weight = 10 [[menu.main]]