---
title: 'Software Daily Summary: What Happened on October 25, 2026'
headline: Cheminformatics models tackle ligand strain and solvent prediction
description: A neural network analyzed solvent-aware strain across about 8,000 ligand
  conformations, while a 47-feature model improved solvent-property predictions on
  held-out solvents.
url: https://thebench.bio/news/software/2026-10-25
topic: software
date: '2026-10-25'
covers:
- '2026-10-25'
date_published: '2026-10-26T00:02:34Z'
date_modified: '2026-10-26T00:02:34Z'
tags:
- Software
sources: 1
publisher: TheBench.Bio
---

# Software Daily Summary: What Happened on October 25, 2026

**Cheminformatics models tackle ligand strain and solvent prediction**

A neural network analyzed solvent-aware strain across about 8,000 ligand conformations, while a 47-feature model improved solvent-property predictions on held-out solvents.

## Today in brief

A cheminformatics roundup covered a neural network method for calculating ligand strain in solvent and a 47-feature model that improved solvent-property predictions on five held-out solvents. [1]

## The day in numbers

- **~8,000**: Protein-structure conformations analyzed for solvated ligand strain. [1]
- **0.54 to 0.79**: R² on five held-out solvents, comparing the RDKit fingerprint baseline with a 47-feature descriptor. [1]

## Also published

- [Podcast Recommendations Oct 2026](<https://blog.stephenturner.us/p/podcast-recs-dtascience-uvadatapoints-aiexchange>), Paired Ends

## Sources

1. [This Week In Cheminformatics: Issue #044](<https://thisweekincheminformatics.substack.com/p/forty-four>), This Week in Cheminformatics, 2026-10-25

---

TheBench.Bio wrote this from the reporting cited above, with a language model drafting and editing.

[1]: <https://thisweekincheminformatics.substack.com/p/forty-four>