[Lisa_seminaires] [mila-tous] [Tea Talk] Maksym Korablyov (MIT) Thr June 7 2018 2:00PM AA3195

Dzmitry Bahdanau dimabgv at gmail.com
Jeu 7 Juin 13:56:16 EDT 2018


Starting in 5 minutes!

On Wed, 6 Jun 2018 at 10:29 Michael Noukhovitch <mnoukhov at gmail.com> wrote:

> Sorry for the delay but this week we have *Maksym Korablyov * from * MIT *
> giving a talk on *Thursday June 7 2018* at *2:00PM* in room *AA3195. *This
> is usually the learning agents' reading group slot so shoutout to them for
> letting me have this slot and again to Dima for helping put this together.
>
> Maksym is interested in meeting with people to discuss RNNs for structural
> prediction, conditional feature extraction, and 3D object alignment, and
> also other applications of deep learning to chemistry. Want to meet with
> him? Sign up here
> <https://calendar.google.com/calendar/selfsched?sstoken=UVBVTVF0X25Nd09LfGRlZmF1bHR8ZWQ5MmNlYWMxODI4OWVkNmUzNGU3OTE4ZDExMGI0YTk>
> Can't make it? Email me and I'll set something up!
>
> Note: There will be no streaming so come in person!
>
> If your *deep learning* code is *breaking bad*, take a break and come to
> this talk!
> Michael
>
> *TITLE* A few steps towards molecule google
>
> *KEYWORDS *deep learning chemistry, deep learning theory
>
> *ABSTRACT*
> Commonly used search engines such as Google can retrieve relevant entries
> with high speed and accuracy from spaces as big as 10^12 - the number of
> words in the Internet. Search algorithms that could address the space of
> 10^80 - 10^100 drug-like molecules are not yet publicly available. The
> world’s combined effort of pharmaceutical companies (experimental +
> computational) is ~10^15 molecules/year with 30-50 new drugs found. In this
> talk I will 1: give some numerical estimates of the value of unexplored
> chemical space. 2: provide some intuition why all possible molecules could
> be mapped to a low-dimensional manifold and which families of functions
> might efficiently describe such mapping. 3: show some empirical results of
> the search in 10^80. 4: present an algorithm for partial flexible shape
> match (drug + protein) that we have developed recently.
>
> *BIO*
> Maksym Korablyov is a graduate student advised by Dr. Joseph Jacobson at
> Massachusetts Institute of Technology, Media Lab. Prior to MIT, Maksym was
> a Fulbright Fellow at Harvard Medical School with Dr. Gil Alterovitz for
> one year. Maksym holds MS in Bioinformatics from Georgia Institute of
> Technology where he developed a series of potent antiviral inhibitors
> jointly with Dr. James Gumbart and Dr. Raymond Schinazi.
>
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