Blog - Moleculepath Bio

Drug Discovery May 5, 2026

Hit Identification Timelines at Seed-Stage Biotechs: What to Expect

Early-stage biotech teams routinely underestimate how long structure-based hit identification takes. Here is a realistic breakdown of each stage and where time is typically lost.

Cheminformatics April 28, 2026

Glide Docking and Scoring: SP, XP, and When Each Mode Matters

Schrodinger Glide offers Standard Precision and Extra Precision docking modes. Understanding when to apply each and how to interpret docking scores is essential for meaningful hit prioritization.

Drug Discovery April 21, 2026

Small-Molecule Screening at Specialty CROs: A Practical Overview

Specialty CROs face unique constraints when running structure-based screening campaigns. This post covers the key operational decisions that affect short-list quality and turnaround time.

Integrations April 14, 2026

Integrating Cheminformatics Data with Benchling: Key Considerations

Moving docking results, ADMET flags, and compound identifiers into Benchling without a custom integration layer is possible when your data package is structured correctly from the start.

Cheminformatics April 7, 2026

Early ADMET Filters and Their Effect on Late-Stage Attrition

Applying ADMET scoring at the hit identification stage rather than at lead optimization meaningfully reduces synthesis batches that yield no usable binding activity.

Drug Discovery March 31, 2026

PAINS Compounds in Hit Identification: Detection and Handling

Pan-assay interference compounds are a persistent source of false positives in biochemical screening. Robust substructure filtering before synthesis decisions prevents wasted wet-lab cycles.

AI Drug Discovery March 24, 2026

Using AlphaFold2 Models in Structure-Based Drug Discovery Workflows

AlphaFold2 outputs are now routinely used as docking targets in early discovery programs. This post covers the preparation steps that determine whether a predicted structure is docking-ready.

Drug Discovery March 17, 2026

Structure-Based Virtual Screening: A Primer for Biotech Discovery Teams

Structure-based virtual screening uses protein target geometry to filter and rank compound libraries before any wet-lab synthesis. This primer explains how the pipeline works and what it requires to run well.