Archive - Success-Driven Molecular Discovery

How We Serve Scientists in the Age of AI

Our focus on outcomes promotes better science.

Jun 26 •

June 2021

Embracing Results-driven Discovery

At a time where many screening technologies have reached the end of their hype curve, early discovery campaigns can focus on results rather than putting…

Jun 17, 2021 •

February 2021

OpenBench SMOTM Benchmark #3: Oct-Dec 2020

Making molecular property prediction more resilient

Feb 11, 2021 •

and

The Road Behind, The Road Ahead

Reflections on OpenBench's first year and a Re-dedication of ADME Talks

Feb 2, 2021 •

December 2020

Case Study: Predicting Human VDss in Discovery

OpenBench's deep learning platform outperforms conventional methods

Dec 7, 2020 •

October 2020

OpenBench SMOTM Benchmark #2: July-Aug 2020

Re-calibrating QSAR Expectations

Oct 15, 2020 •

and

September 2020

OpenBench SMOTM Benchmark #1: June 2020

Building trust in molecular property prediction one month at a time

Sep 1, 2020 •

and

August 2020

How Much Can I Save, and at What Cost?

Making QSAR metrics more intuitive to avoid Pyrrhic victories

Aug 6, 2020 •

July 2020

In Silico ADME-Tox Prediction is a Regression Task

Numerical output gives discovery scientists more flexibility and utility

Jul 13, 2020 •

Does our hERG model weigh the same as a duck?

An Epilogue to "Predicting hERG in novel chemical space"

Jul 7, 2020 •

June 2020

OpenBenchmark: Modeling the Blood-Brain Barrier

Part 1: A Simplified Open-Source Data Cleaning Workflow

Jun 29, 2020 •

A Paradise Deferred

Reflections on the Dire Need for Curated, Open ADME-Tox Benchmarks

Jun 11, 2020 •

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