Frequently Asked Questions – CACHE Challenges

CACHE (Critical Assessment of Computational Hit-finding Experiments) Challenges are open competitions designed to bridge the gap between computational predictions and real-world experimental validation in drug discovery. They invite researchers from academia, industry, and nonprofits to test their best computational methods for predicting potential drug starting points. CACHE then validates those predictions experimentally in the lab, with all findings shared openly. The goal is to create reproducible benchmarks, improve AI tools for drug discovery, and foster collaboration across sectors and academia.

Academic labs, biotech and pharma companies, and software developers with computational hit-finding methods are eligible to participate.

Applications for each challenge are submitted via the CACHE website and reviewed in a double-blind peer review process overseen by the Applications Review Committee. Selected participants are notified via email.

Yes. Applications can be edited and resubmitted any time until the official submission deadline.

Challenge timelines vary, but most are completed in around 18-24 months including prediction rounds, experimental testing, and data release.

By submitting a challenge application participants consent to the CACHE Terms of Participation on behalf of themselves and their organization. The terms are publicly available on the CACHE website.

CACHE currently covers all experimental testing required for validation. Participants are responsible for the cost of procuring or synthesizing their proposed compounds, unless otherwise specified. Participants are encouraged to review the Announcement page of each challenge for the specific cost breakdown.

Yes. Eligible Canadian academics and SMEs may receive reimbursement of a portion of compound procurement, direct labour, and equipment costs. The reimbursement percentage varies by challenge.

Yes. Each challenge has a cap on the number of compounds each participant may submit — typically up to 100 compounds in Round 1 and up to 50 chemical analogs in Round 2.

All compound orders with Enamine are coordinated by CACHE’s Operations Manager, who places a single bulk order on behalf of all participants. Participants who do not submit their finalized compound list by the deadline will not be included in the order and may forfeit their place in the challenge.

The estimated total per round is approximately $50,000 USD. This estimate includes salaries for two full-time-equivalent staff over two months, compound procurement, computational expenses, and equipment. Each challenge has two rounds, so the total cost for participants selected for round 2 is approximately $100,000 USD.

Evaluation criteria vary by challenge. Metrics usually include: Hit rate (successful binders), Binding affinity, Physico-chemical properties, Performance relative to pooled selections, and /or expert peer review assessments.

After each prediction round, experimental data are shared with participants in confidence. This includes both the assay data and performance scores for their compounds. Final results are made publicly available after a three-month embargo period following the conclusion of the challenge.

If you forget your UID or code, you can request it be sent to you by clicking on Forgot on the Participant Login page and entering your applicant email. For any other access requests, please contact [email protected] for assistance.

If a participant decides to withdraw from a challenge, their participation rights may be terminated, but obligations regarding Challenge IP and licensing will still apply. See questions below on intellectual property for more information.

Your own work (Background IP) : Participants retain ownership of their methods, code, and prior work.

Challenge outputs (Challenge IP): Compounds, data, and structures produced during  the challenge are shared openly under licenses such as CC BY 4.0. As per the Terms of Participation, participants agree not to patent these outputs, ensuring results remain accessible to the broader research community.

Yes. CACHE publishes joint papers with qualified participants (i.e. those who complete both rounds of predictions and experimental validation) after each challenge. Participants are also free to publish independently, and are asked to acknowledge CACHE/Conscience appropriately.

All participants can remain anonymous for the duration of the challenge. As per section 4.6 in the Terms of Participation. The top three performing participants are automatically de-anonymized at the conclusion of the challenge. All other participants are asked if they would like to de-anonymize, in which case their names will be listed on the CACHE website along with the results of the challenge. 

No, proprietary methods and code (Background IP) do not need to be disclosed. Participants are only required to provide a descriptive summary of their workflow, so others can understand the approach without revealing sensitive details.