Overview:
Case studies with datasets will be prepared for the workshop by the workshop leaders and shared with the workshop class, divided into working teams.
The workshop will commence with short sessions explaining the methods and tools available for carrying out the case study work. All class members will be able to try out different programs on practical problems to get an understanding of the application of the methods.
The workshop teams will then formulate their problem and team assignments related to a case study which will be reviewed by a workshop facilitator.
Workshop participants can then spend the remainder of the workshop working on their problems, supported by the mentoring of the workshop leaders.
Each team will complete a summary of their progress at the end of the workshop and their plans for completing the work.
The work will be continued virtually using the OpenTox Slack channel and the results prepared as a report due 30 April 2019. You can join the OpenTox Slack Channel here.
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Day 1: March 1st, 2019 (Friday) |
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Venue: Centre For Molecular Modeling, CSIR-IICT |
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9:00-10:30 |
Introductions; Group division, Plan of the workshop |
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10:30-11:00 Tea break |
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11:00-13:00 |
Session 1 - Introduction to Case Studies and Methods, led by Drs. G. Narahari Sastry, Priyanka Banerjee, and Barry Hardy |
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13:00-14:30 Lunch |
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14:30-16:30 |
Session 2 - Hands-on working session |
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16:30-17:00 Tea break |
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17:00- 17:45 |
Recap |
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18:30-21:30 Knowledge café (facilitated by Barry Hardy and Narahari Sastry) and dinner |
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Knowledge Café topics |
Lead by |
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Theme I: |
Academic Vs Industry |
Dr. Sreedhara R Voleti |
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Theme II: |
Chemoinformatics and drug discovery |
Dr. Indira Ghosh |
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Theme III: |
Toxicity experimental and in silico prediction |
Dr. Alok Dhawan |
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Theme IV: |
P4 medicine (predictive, preventive, personalized and participatory) |
Dr. Ravichandran |
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Theme V: |
Environmental care |
Dr. Andrew Singer |
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Theme VI: |
Challenges in healthcare |
Dr. G. Narahari Sastry |
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Day 2: March 2nd, 2019 (Saturday) |
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9:00-10:40 |
Session 3 - Hands-on working session |
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10:40-11:00 Tea break |
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Venue: New Lecture Hall, CSIR-IICT |
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Session 4 |
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Titles |
Speakers |
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11:00- 11:20 |
Role of ADME and toxicity in drug candidate selection |
Dr. Girinath Pillai, Zastra Solutions |
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11:20-11:40 |
Integrating Jupyter Notebook into FLARE |
Dr. Suneel Kumar, CRESSET Software |
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11:40-12:00 |
Schrodinger |
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12:00-12:20 |
Evidence-based toxicity alerts assisting drug discovery in real-time |
Dr. Surojit Sadhu, ChemAxon/ Advent Informatics |
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12:20-12:30 |
In silico Toxicology Predictions in Pharmaceutical Industries: Business Opportunities |
Dr. Purushotham, Qstatix |
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12:30-13:00 Recap |
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13:00 -14:00 Lunch |
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