Mar
10
to Mar 14

SOT 63rd Annual meeting

Dr’s. Thomas Lane, Fabio Urbina and Sean Ekins will be attending and presenting posters and a talk:

2002: Machine Learning and Large Language Models for Steroidogenesis, Mon, Mar 11Grand Ballroom A‚ Salt Palace Convention Center 9:45am - 10:00am   (Mountain)

3312: Poster Board - P434: Inhibition Screening and Machine Learning Model Development for Equilibrative Nucleoside Transporters 9:15AM-11:15AM Mar 11 (Mountain)

4621: Poster Board - P481: In vitro Characterization and Rescue of VX Metabolism in Human Liver Microsomes, Wed, Mar 13, 11:45am - 1:45pm   (Mountain) Board no. P481

Poster Board - P149: Comparison of dimensionality reduction techniques for chemical space and applicability domain determination of QSAR model training and target datasets, Wed, Mar 13, 11:45am - 1:45pm   (Mountain) Board no. P149

4405: Poster Board - P192: Seizure Predictions Using Adverse Outcome Pathway-based Fast Interpretable Greedy-Tree Sums Modeling, Wed, Mar 13, 2:15pm - 4:15pm   (Mountain), Board no. P192

4388: Poster Board - P175: Predicting the Activities of Selective Butyrylcholinesterase Inhibitors using Contrastive and Deep Learning Models, Wed, Mar 13, 2:15pm - 4:15pm   (Mountain) Board no. P175

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Feb
3
to Feb 7

SLAS 2024

Sean Ekins will be presenting a talk “Applying Artificial Intelligence in a Small Drug Discovery Company”

Boston, MA.

https://www.slas.org/events-calendar/slas2024-international-conference-and-exhibition/attend/register/

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Nov
13
5:30 PM17:30

NINDS Translational Research Project - 2023 Society for Neuroscience satelite meeting

Sean Ekins will be presenting a poster at this NIH/NINDS satelite meeting Nov 13th 2023 6.30-9.30pm at the Renaissance Washington, DC, Downtown Hotel (Potomac Ballroom Salon 2 and Salon 3).

Developing Treatments for Rare Diseases on a Shoestring: the Batten Disease (CLN1) Enzyme Replacement Therapy Experience

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Oct
22
to Oct 25

AAPS 2023 PharmSci 360

Dr Sean Ekins will be presenting a poster and rapid fire presentation on “Large language models for predicting ADME/Tox” and will present in a career development session on “Winning Grants”.

Career development session Oct 23rd 12-1pm

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Mar
26
to Mar 30

ACS Spring Meeting

Indianapolis, IN

Dr. Fabio Urbina will be presenting:

PAPER ID: 3825377
PAPER TITLE: “Confident predictions of blood brain barrier crossing using machine learning models with conformal predictors and applicability constraints”

DIVISION: MEDI
SESSION TYPE: Oral - In-person

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Dec
6
to Dec 9

The Chemical and Biological Defense Science & Technology (CBD S&T) Conference

  • San Francisco United States (map)
  • Google Calendar ICS

Dr. Thomas Lane will be presenting our collaborative work with Ohio State University as a poster.

“Machine learning models for predicting human liver microsomal metabolism of organophosphate pesticides”

Thomas Lane, Fabio Urbina, John Corbett, Kemal Ozalp, Garima Agarwal, Craig McElroy and Sean Ekins

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Nov
13
to Nov 17

SETAC

5.11.V-02 Machine Learning Models For Predicting Human Liver Microsomal Metabolism of Organophosphate Pesticides
Thomas Lane1, Fabio Urbina1, Garima Agarwal2, Craig McElroy2 and Sean Ekins1, (1)Collaborations Pharmaceuticals, Inc., (2)The Ohio State University

5.11.T-01 Comparisons of Biodegradation and Aquatic Toxicity Machine Learning Models
Thomas Lane, Fabio Urbina and Sean Ekins, Collaborations Pharmaceuticals, Inc.
Wednesday, November 16, 2022 10:00 AM
Convention Center - Ballroom B

Session: In silico NAMs: Recent developments and regulatory applications

5.11.V-04 Performance Comparison of Acetylcholinesterase Inhibition Machine Learning Models for Multiple Species
Patricia Vignaux, Fabio Urbina, Thomas Lane, Ana C Puhl, Sean Ekins and Jacob W Gerlach, Collaborations Pharmaceuticals, Inc.

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Aug
21
to Aug 25

ACS Fall 2022

This meeting will be held in Chicago and we will be presenting the following papers:

PAPER ID: 3754294
PAPER TITLE: Integrating computational, in vitro and in vivo approaches for SARS-CoV-2 drug discovery

DIVISION: Division of Chemical Information
SESSION: Chemoinformatics & COVID
SESSION TIME: 2:00 PM - 3:30 PM

PRESENTATION FORMAT: Oral - Hybrid
DAY & TIME OF PRESENTATION: Sunday, August 21, 2022 from 2:25 PM - 2:45 PM
ROOM & LOCATION: Glessner House B - Marriott Marquis Chicago

PAPER ID: 3753187
PAPER TITLE: Making the world aware of the potential dark side of generative AI for drug discovery

DIVISION: Division of Chemical Information
SESSION: Artificial Intelligence and Machine Learning with Publicly Available Chemical Data
SESSION TIME: 2:00 PM - 5:50 PM

PRESENTATION FORMAT: Oral - In-person
DAY & TIME OF PRESENTATION: Monday, August 22, 2022 from 2:05 PM - 2:30 PM
ROOM & LOCATION: Water Tower A - Marriott Marquis Chicago

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