Machine Learning for Science - IIIT Hyderabad

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Group of researchers from IIIT Hyderabad developing machine learning models for different applications in sciences including drug design, computational chemistry, computational biology, biomedical image processing, material design, etc.

12/03/2023
02/05/2022
18/03/2022

Applications Open for PhD Admissions at IIIT Hyderabad
Students with a good academic record and interest in pursuing research can join IIITH’s PhD programs by qualifying through the Postgraduate Entrance Examination (PGEE). Details at https://pgadmissions.iiit.ac.in/pgee/
Apply now! Application deadline 3 April 2022

https://doi.org/10.1039/D1SC02783B
06/11/2021

https://doi.org/10.1039/D1SC02783B

In drug discovery applications, high throughput virtual screening exercises are routinely performed to determine an initial set of candidate molecules referred to as “hits”. In such an experiment, each molecule from a large small-molecule drug library is evaluated in terms of physical properties...

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