Notice

2019.06.28  Team application deadline has been changed to 2019.08.21 (Wed).
2019.09.26  Added 
SMS Verification to winning conditions (Please see the "Evaluation" page).



Background

The development of new drugs requires such a long process from basic research to non-clinical studies, clinical studies, approval process and so forth, and also in general, it is said to take over a period of more than 10 years at a cost of several tens of billions of yen to one hundred billion yen. In addition, as it is necessary to optimize many factors such as drug efficacy, safety, and pharmacokinetics, it is said that the success rate of a lead compound to be launched on the market as a new drug is as low as 1 in a 30,000 possibility, even with the huge cost over a long period of time.

In recent years, methodologies from mathematical simulation and machine learning are attracting attentions from pharmaceutical industry and are expected to achieve development efficiency and cost reduction, for instance, by identifying novel candidate compounds from a large number of compounds rapidly. Also, applying these methodologies to big data analysis in the process of non-clinical studies to select candidate compounds efficiently is also expected to make the drugs reach patients in need of them as early as possible.

In this competition, participants are challenged to create an algorithm to predict pharmacokinetic parameters using multiple descriptors that represent structural chemical, physicochemical and biochemical characteristics of various compounds with the aim of improving the efficiency of new drug discovery process. This is definitely a rare opportunity to deal with the data in the pharmaceutical industry and to contribute to drug discovery.

We are looking forward to your participations.

* This competition is proposed and implemented by SIGNATE as a research project of Takeda Pharmaceutical Company's open innovation program (COCKPI-T® Funding).



Task

Predict pharmacokinetic parameters from compound information and experimental data in the screening test

* Please refer to "Data" page for details such as data format.

In order to participate in the Competitions, you are required to agree to these Terms, in addition to the Terms of Use of SIGNATE.JP Site (hereinafter referred to as the "Terms of Use"). You should participate in the Competition after reading carefully and agreeing to these Terms. If you agree, these Terms, the matters that are added to these Terms as "additional matters", the Terms of Use and other terms and conditions that you have agreed to shall be binding on the relevant parties as integral documents.


Article 1. Definitions

1.For the purpose of these Terms, the following terms shall be defined as follows:

(1)"Site" means the website "SIGNATE (https://signate.jp)" on which the Competitions are posted.
(2)"Competition" means any competition on AI development or data analysis on the Site as held by the Host.
(3)"Host" is the host(s) of the Competitions. The Host may be SIGNATE, Inc. (hereinafter referred to as the "Company") or the Company’s client companies, affiliated companies, schools or organizations, etc. (hereinafter referred to as the "Client(s)").
(4)"Participant(s)" means the member(s) who participate in a Competition.
(5)"Submissions" means, collectively, the analysis and prediction results and reports, etc. as submitted in the Competition.
(6)"Final Submissions" means the Submissions that are specified by a Participant on the prescribed page in the Site by the time of completion of a Competition.
(7)"Winner Candidate" means the Participant who has received a notice from the Company that he/she is nominated as a winner candidate.
(8)"Submissions for Final Judgment" means the analysis and prediction model and learning data, etc. as submitted by a Winner Candidate pursuant to the instructions of the Company.
(9)"Final Judgment" means the acceptance inspection and judgment, including reproducibility verification, by the Company for the Final Submissions and Submissions for Final Judgment of a Winner Candidate.
(10)"Winner" means the Winner Candidate who is informed by the Company that he/she has won a prize.
2.Unless otherwise defined in these Terms, the terms used in these Terms that are defined in the Terms of Use shall have the same meaning as defined in the Terms of Use.

Article 2. Competition

1.A member who desires to participate in a Competition shall be required to agree to these Terms and to satisfy the conditions for participation as specified in each such Competition. Any person who is not a member shall not participate in any Competition.
2.Participants shall participate in each Competition in the manner as advised by the Company and shall be obligated to comply with the rules as prescribed in each Competition.
3.Participants may submit the Submissions for the assignment of each Competition during the period of such Competition and submit a proposal on the method of solving the problem to the Host by the end of the period of the said Competition.
4.Participants may submit the Final Submissions in the form specified in each Competition by the time specified by the said Competition.
5.The Final Submissions as submitted shall be evaluated by the evaluation method as specified in each Competition and the final rank order shall be determined based on such evaluation.
6.Any Participant may, as a general rule, check the evaluation results of the Participant him/herself and each of the other Participants on the Site for the Submissions that may be evaluated quantitatively.
7.Participants shall be liable or otherwise responsible for their own Submissions, including their legality.
8.Participants shall not submit any Submissions that have no direct relationship to each Competition.
9.Unless otherwise provided for, Participants shall not directly communicate to, consult with, make a request to, solicit or take any other actions with the Host in respect of the matters related to a Competition during the period of the said Competition.
10.Any Participant who has uncertainty or questions about any Competition shall make sure to contact the Company or its designee through the procedures prescribed by the Company as posted on the Site.
11.The Company shall not be obligated to pay any remuneration or other consideration other than those prescribed in the following Article for any act of the Participants as prescribed in paragraphs hereof.

Article 3. Reward and Vesting of Rights

1.Unless otherwise provided for, any Participant shall satisfy the following requirements in order to be entitled to receive a reward in any Competition that offers a reward:

(1)To be a winner;
(2)To agree to transfer to the Host and the relevant transferee of rights in such Competition all transferable rights, such as copyrights, rights to obtain patents and know-how, etc. in and to all analysis and prediction results, reports, written explanations on analysis and prediction model, algorism, source code and reproduction method, etc., and the Submissions contained in the Final Submissions and Submissions for Final Judgment (including the rights as prescribed in Article 27 and Article 28 of the Copyright Act and the rights to obtain patents; hereinafter referred to as the "Rights");
(3)To agree that any relevant transferee of rights exclusively has the right to use the know-how contained in the Final Submissions and Submissions for Final Judgment for its own business and other purpose without any restriction;
(4)To agree not to exercise moral rights to the Rights against the relevant transferee of rights;
(5)To enter into an agreement for the transfer of the Rights with the relevant eligible transferee of rights, including the agreement to the matter in the preceding three (3) items and other reasonable provisions;
(6)To have the personal identity of such Participant verified by the Company.
(7)Not to breach any provision of these Terms and the Terms of Use.

2.Any Winner Candidate shall, after having received a notice from the Company that he/she is nominated as a winner candidate, submit the Submissions for Final Judgment on or before the designated date and communicate the matters requiring confirmation or response in relation to the Final Submissions and the Submissions for Final Judgment to the Company on or before the designated date, in accordance with the instructions of the Company. The Company shall carry out the final judgment based on such matters requiring confirmation or response. If the Company receives no confirmation or response satisfactory to the Company on or before the designated date, the Company may exclude such Winner Candidate from the subject of the final judgment.
3.If the Company considers that the Final Submissions or Submissions for Final Judgment need to be amended or modified, or there occur any additional matters requiring confirmation, in the course of the final judgment, any Winner Candidate shall take action or make response in relation to the matters that require amendment, etc. or the detailed information on the matters requiring confirmation, on or before the designated date in accordance with the instructions of the Company. If the Company receives no action or response satisfactory to the Company on or before the designated date, the Company may exclude such Winner Candidate from the final judgment.
4.The Company shall determine the Winner through the final judgment and inform the Winner to that effect.

Article 4. Confidentiality

1.Participants shall treat any information, data, or content transmitted through the service where they receive from the Company in relation to each Competition (hereinafter referred to as the "Company-Provided Information") as confidential information and shall not disclose the same to any third party and use the same for any purpose other than for such Competition and purpose specified by the Company separately; provided, however, that the confidential information shall not include any information that falls under any of the following items:

(1)Information that is known to the public at the time of the disclosure;
(2)Information that is already possessed by the Participant at the time of the disclosure (only in the case where such Participant may demonstrate such fact by reasonable means);
(3)Information that becomes known to the public without the fault of the Participant after the disclosure;
(4)Information that is independently developed by the Participant without reference to any information as disclosed (except for those Submissions of the person eligible for a prize which are evaluated); or
(5)Information that is rightfully disclosed by any third party having a right to do so without the obligations of confidentiality (only in the case where such Participant may demonstrate such fact by reasonable means).

2.Any Participant shall delete or return to the Company the Company-Provided Information immediately after the completion of each Competition.
3.Any Winner shall handle his/her Final Submissions and Submissions for Final Judgment in the same manner as prescribed in paragraph 1 hereof.
4.If there is any separate arrangement in relation to the confidential information in each Competition, the provisions of such arrangement shall prevail over the provisions of these Terms.
5.If any dispute occurs between the Host or other third party and the Company due to the breach by any Participant of the provisions of this Article and such other party makes any claim against the Company, such Participant shall compensate for any damage, loss, expenses (including, but not limited to, attorneys’ fees), lost profits and lost revenues, etc. incurred by the Company.
6.The provisions of this Article shall survive the termination of the relevant Competition or the Participant’s completion of the procedures for withdrawal from the service of the Company, with respect to the Company-Provided Information and the Winner’s Final Submissions and Submissions for Final Judgment for a period of five (5) years thereafter.

Article 5. Prohibited Acts of Participants

1.The Company shall prohibit Participants from engaging in any of the following acts in any Competition:

(1)An act of cracking, cheating, spoofing other misconduct;
(2)An act of directly communicating to, consulting with, making a request to, soliciting or responding to solicitation or other activities to other Participants or the Host (other than the Company) without the involvement of the Company;
(3)Any profitmaking activities using the Competition (including solicitation or scouting activities, and use for a third party in educational business, etc.) without the prior approval of the Company in writing or any other manner specified by the Company;
(4)Transfer, offering as collateral or other disposition of the status as a Participant or the rights or obligations as a Participant (except with the prior written consent of the Company); and
(5)Any other act in breach of the Terms of Use.

2.If the Company deems that a Participant engages in any of the prohibited acts as prescribed in the preceding paragraph, the Company may, without prior notice to the Participant, disqualify the Participant from the Competition in which the Participant participates, temporarily suspend the Participant from using the service of the Company, withdraw the Participant’s membership, claim damages from the Participant or take any other measures deemed necessary by the Company.

Article 6. Change, Discontinuation or Termination of Provision of Services under These Terms

1.The Company may change or temporarily suspend the services provided by the Company under these Terms without prior notice to the members.
2.Upon one (1) month prior notice to the members, the Company may suspend for a long period of time or terminate the services provided by the Company under these Terms.
3.The Company shall not be liable for any results or damage arising from the measures taken by the Company under this Article.

Article 7. Modification of Terms

1.The Company may modify, add or delete any provisions of these Terms from time to time without the approval of the members.

Enforced on April 1, 2018
Last updated on January 18, 2019

Evaluation Function
・Submissions are scored on the coefficient of determination.
・The evaluation value takes a value of 1 or less, and the higher the accuracy, the larger the value.


Determination of winners 
1. Final scorings and rankings will be determined using correct data sets that differ from those used for the contest. The scoreboard display (ranks and scores) will automatically change from running scores to final evaluation scores once the contest has ended.

2. Regarding evaluation-based rankings, the contestant who applied first for participation in the contest will be ranked higher in the case of an identical (tied) score.

3. Subject to the economic burden at the secretariat and guaranteeing that there is no infringement of the right, the following are required to determine winners:
 ・model source code
 ・Trained model
 ・Procedure description document enabling reproduction of the prediction process (must clearly explain preprocessing, learning, and prediction processes. When using pre-trained models, APIs, data other than provided data etc, also specify its source (location of data, link of thesis etc))
・Computer/equipment operating environment information, including OS version, software utilized and analysis methods
・Random number seed (if Random Forest or similar was used to generate random numbers)
・Degree of prediction model contribution for all explanatory variables (when using a method that enables calculation of degree of prediction)
・Insights gained through data interpretation, manipulation and modeling
   (* Please see here for a sample of the winners survey)

4. During the reproducibility evaluation period, the contestant will be disqualified from award eligibility in any of the following cases:
・The contestant does not respond within the specified timeframe to contact from, or a request/demand from, the contest administrative office regarding contest-related procedures
・The contestant fails to adhere to participant requirements, rules, etc.
・The model's prediction results cannot be reproduced
・SMS Verification of account is not completed
When the secretariat judges that it is unfair for other reasons

5. We will select winners from those who can confirm the reproducibility.

Overall ranking
・ This competition is the target of overall ranking (score, medal).

Premise
・Please keep in mind to create a practical model as each competition, in principle, has its own goal such as achieving business challenges, solving social problems, and sharing results of studies.
・We expect the implementation in consideration of operability and extensibility. That is, use only the provided data, please make mechanical and automatic processing flows that do not depend on human judgment.

One account per individual
・If you participate as an individual, you can only have one account per person.

Creating a team
・If you want to join a team, you can create a team of up to 5 people, including representative.
・To create a team, please apply for a representative from the "Team Form" button on the upper right of the page.
    * The team can be created by 2019.8.21 (Wed) in this competition.
    * If the team creator (representative) unsubscribes from SIGNATE, the team will be treated as disbanded.
      Please be aware that once a team is disbanded, users who have previously joined as members
      will not be able to contribute to the competition, either as a team or as an individual.
   
* Please refer to here for details of team functions (https://signate.jp/features/team).

No private sharing
・Sharing code and disclosing information about data (including descriptors) are not permitted.

Data limitations
・It is prohibited to learn the model using external data.
Implementation using a learned model generated from external data or using an external API (such as Google Cloud API) is prohibited.

Other limitations
・You may use any softwares as long as they are open sourced and free (python, R, etc.).
・Please ensure that the proposed method is reproducible and can be used continuously without any additional costs.
・Modeling process should be divided into 3 parts (Preprocessing, Training, and Predicting) and a source code for each part has to be executable independently.

1. Preprocessing
Module that reads supplied data, carries out preprocessing, and outputs each file in a format that can be input into the model. Divide into files for learning and files for evaluation ("get_train_data" and "get_test_data" or similar), and define a function for preprocessing.

2. Training
Module that reads files created in step 1 to enable model learning. Define a function that can output the learning-complete model, amount of characteristic and cross validation assessment results.

3. Predicting
Module that reads the test data created in step 1 and model created in step 2 and outputs prediction results in file format.