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OpenTox Asia 2019 Workshop Program


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.

Day 1: March 1st, 2019 (Friday)

Venue: Centre For Molecular Modeling, CSIR-IICT


Introductions; Group division, Plan of the workshop

10:30-11:00 Tea break


Session 1 - Introduction to Case Studies and Methods, led by Drs. G. Narahari Sastry, Priyanka Banerjee, and Barry Hardy 

13:00-14:30 Lunch


 Session 2 - Hands-on working session 

16:30-17:00 Tea break

17:00- 17:45


18:30-21:30 Knowledge café (facilitated by Barry Hardy and Narahari Sastry) and dinner


Knowledge Café topics

Lead by

Theme I:

Academic Vs Industry

 Dr. Sreedhara R Voleti

Theme II:

Chemoinformatics and drug discovery

 Dr. Indira Ghosh

Theme III:

Toxicity experimental and in silico prediction

Dr. Alok Dhawan

Theme IV:

P4 medicine (predictive, preventive, personalized and participatory)

Dr. Ravichandran

Theme V:

Environmental care

 Dr. Andrew Singer

Theme VI:

Challenges in healthcare

Dr. G. Narahari Sastry

Day 2: March 2nd, 2019 (Saturday)


Session 3 - Hands-on working session 

10:40-11:00 Tea break

Venue: New Lecture Hall, CSIR-IICT

Session 4




11:00- 11:20

Role of ADME and toxicity in drug candidate selection

Dr. Girinath Pillai, Zastra Solutions


Integrating Jupyter Notebook into FLARE

Dr. Suneel Kumar, CRESSET Software





Evidence-based toxicity alerts assisting drug discovery in real-time

Dr. Surojit Sadhu,  ChemAxon/ Advent Informatics


In silico Toxicology Predictions in Pharmaceutical Industries: Business Opportunities

Dr. Purushotham, Qstatix

12:30-13:00 Recap

13:00 -14:00 Lunch