Release Notes 8–18 FEB 2026

Comprehensive changelog — everything shipped across the Discoverant platform in the last 10 days.

18 February 2026 6 FEATURES

Default Units

Dedup Levels

Reg. Endpoints

441

Field Synonyms

Complete Unit Conversion System

Full scientific unit conversion engine integrated into the data grid. 62 default units mapped to canonical fields, 30 new ADMET/PK fields added (CL_int, Vd, AUC, Cmax, t_half, F_oral, fu, etc.).

Conversion Type	Method	Example
Linear	Scale factor multiplication	nM ↔ µM, mg ↔ g, L/h ↔ mL/min
Cross-system (molar ↔ mass)	Uses molecular weight: `mass = molarity × MW`	nM ↔ ng/mL (requires MW column)
Logarithmic	`pIC50 = −log10(IC50 × 10−9)`	IC50 (nM) ↔ pIC50

Right-click any column header for Convert Display (in-place unit change) or Add Converted Column (new column with target units). The column menu dynamically shows only valid conversions for the current unit.

Deduplication Module

Indigo-based structure matching for identifying duplicate compounds across datasets. 4-step wizard UI: select columns → choose precision → review matches → resolve duplicates.

Precision Level	Method	Use Case
Exact	Canonical SMILES string equality	Identical structures only
Canonical	Indigo canonical form comparison	Same structure, different input representations
InChIKey	First 14 characters (connectivity layer)	Same connectivity, different stereochemistry
Scaffold	Murcko scaffold comparison	Same core ring system

SMILES File Preview

Files containing SMILES strings now render inline 2D structure SVGs instead of showing raw text. Powered by the Indigo rendering pipeline via POST /api/v2/indigo/render. Activates automatically when the system detects a .smi file or a SMILES column.

Registration System

First registered compound: DIS-000001 — Aspirin (acetylsalicylic acid). Salt stripping, stereo preservation, and tautomer canonicalisation all verified working.

RDKit standardisation pipeline for compound registration. Three-tier hierarchy:

Level	Purpose	ID Format
Parent	Unique chemical entity (canonical, desalted)	`DIS-000001`
Version	Salt form / polymorph / free base	`DIS-000001-001`
Lot	Physical batch	`DIS-000001-001-A`

13 API endpoints covering registration, lookup, versioning, and batch operations. Pipeline: SMILES → RDKit MolStandardize → charge neutralisation → salt stripping → canonical tautomer → InChIKey generation → duplicate check → insert.

Ops Dashboard Enhancements

Change	Detail
Registration panel	Live compound count, last registered, pipeline status
Fleet View button	New header button linking to `/fleet.html`
Alert styling	Optional services (birthday-api, tailscaled) shown as grey info badges instead of red alerts
ops-monitor detection fix	Hardcoded as active (if the API responds, it's running) — was falsely showing "activating"
Null-safe JS	`$el()` helper replaces raw `document.getElementById()` throughout — eliminates null-reference errors
Dual-disk fleet monitoring	Both `/` and `/mnt/data` tracked per server
Docs restoration	Architecture, methodology, databases, workbench, guest-activity pages rebuilt

17 February 2026 SCIENCE

ADMET Cards

PK Models

CSV Columns

Intrinsic Clearance Endpoint

Well-stirred hepatic model predicting intrinsic clearance from in-vitro microsomal data. Five ADMET display cards on the molecule detail view: CL_int, hepatic extraction ratio, predicted hepatic clearance, bioavailability estimate, and metabolic stability classification.

CSV Export — Missing Columns

10 enrichment columns were missing from CSV export: InChIKey, IP_Status, Patent_Zone, Zone_Score, Patent_Count, Nearest_Patent_Similarity, Target_Count, Pathway_Count, Clinical_Phase, and Data_Source. All now included.

PKPD Data Fitting

Model	Parameters
One-compartment IV bolus	Vd, k_el, t½, AUC
One-compartment oral	k_a, Vd/F, k_el, t½, T_max, C_max
Two-compartment IV	α, β, Vd_c, Vd_ss, CL
E_max (PD)	E_max, EC₅₀, Hill coefficient

Non-linear least-squares fitting via scipy.optimize.curve_fit. Observed vs. fitted overlay charts returned as Plotly JSON. Derived PK parameters calculated from fitted coefficients.

Science Corrections & Fixes

Docking warnings Banner explaining AutoDock Vina limitations (rigid receptor, no water, scoring function approximations)

Hartree labels Energy units corrected from "kcal/mol" to "Hartree" where DFT results are displayed

Receptor → Target Terminology updated throughout — "receptor" was too narrow; "target" covers enzymes, ion channels, transporters

Extended Descriptors 502 Fixed server error in PaDEL descriptor calculation endpoint. Timeout and memory limits adjusted.

SPR default model Surface Plasmon Resonance fitting defaults to 1:1 Langmuir. c=0 concentration values clamped to avoid division-by-zero.

MM normalisation Molecular mechanics energy values normalised per-atom for cross-compound comparison

12–16 February 2026 INFRASTRUCTURE

441

Synonyms

191

Babel Formats

9.4

Gbps (10GbE)

Canonical Fields

Sprout Import/Export Engine

Unified import system with automatic file-type detection. Supports SDF, MOL, SMI, CSV, and Excel. Auto-detects delimiter, encoding, and structure column. Multi-format export with the same pipeline in reverse.

Open Babel Integration

GPL isolation: Open Babel v3.1.1 runs in a separate Docker container to keep the main backend BSD/MIT-licensed. Communication via REST API.

191 chemical file formats supported. Used for format conversion when importing non-native formats (e.g., MOL2 → SDF, PDB → MOL). Runs on port 8085.

FieldMapper

Stat	Value
Canonical fields	88 (molecular_weight, logP, IC50, EC50, Ki, Kd, CL_int, etc.)
Synonym mappings	441 (MW, mol_wt, MolWeight, molecular weight, peso molecular, etc.)
Languages	6 (English, German, French, Spanish, Japanese, Chinese)
Match strategy	Case-insensitive, underscore/space/hyphen normalised, prefix-stripped

10GbE Network Backbone

Link	Hardware	Throughput
della ↔ delld	Intel X520-DA2, DAC SFP+ cable	9.4 Gbps (direct)
delld ↔ dellc	Intel X520-DA2, DAC SFP+ cable	9.4 Gbps (direct)
della ↔ dellc (via delld bridge)	Linux bridge `br-10g`	9.1 Gbps (bridged)
della ↔ dellb	Intel X520-DA2, DAC SFP+ cable	9.4 Gbps (direct)

Full mesh topology with delld acting as 10G switch via Linux bridge. All four servers now interconnected at 10 Gbps for database replication and batch job distribution.

NUT UPS Incident Fix

DEADTIME Increased from 15s to 120s — prevents false "stale data" alerts during brief communication delays

SHUTDOWNCMD Changed from immediate shutdown to log-only — prevents unintended server shutdowns during UPS self-test

Driver Switched to nutdrv_qx for better Armour APM1200 compatibility

9–11 February 2026 SECURITY & SERVICES

Security Layers

ELN Endpoints

Bingo Indexes

Guest/Member Architecture — 5-Layer Share Security

Layer	Mechanism	Detail
1. Email-pinned access	Token + email match	Share links tied to specific recipient email addresses
2. Email OTP	6-digit code, 10 min expiry	5-attempt lockout, code sent via SMTP
3. Domain restriction	Tenant-level config	`allowed_share_domains` whitelist enforced at share creation
4. Dynamic watermark	Canvas overlay	Shown for guest and trial_member users — includes email + timestamp
5. Anomaly detection	Behavioural analysis	Unusual access patterns flagged to admin security dashboard

Paddle checkout integration for paid member upgrades. GDPR-compliant data handling with configurable retention policies per tenant.

ELN Hub

Electronic Lab Notebook service verified working. 14 API endpoints covering experiment creation, protocol templates, observation logging, and audit trail. 4 Docker containers (API, worker, Redis, PostgreSQL).

Bingo Chemical Index Health

Survived 11 Feb shutdown: All 14 Bingo indexes verified intact after unplanned server restart. No reindex required.

Index	Table	Rows	Status
idx_patent_compounds_bingo	patent_compounds	28.4M	HEALTHY
idx_molecules_bingo	molecules	—	HEALTHY
idx_reactions_bingo	reactions	—	HEALTHY
idx_clinical_bingo	clinical_trial_structures	—	HEALTHY
idx_pubchem_bingo	pubchem	—	HEALTHY

Bingo indexes operational on both della (local) and delld (patent DB). Substructure and similarity search confirmed working across all indexed tables.

8 February 2026 MAJOR

Charts

Layouts

30+

Interaction Types

Bug Fixes

Colour Modes

Analyse View — DataWarrior-Class Scientific Charting MAJOR

Commits: 4be9a34, bbc6d3a

Brand new "Analyse" view mode alongside Grid / Heatmap / Transpose / IP Intelligence. Interactive scientific charts powered by Plotly.js with linked selection across all views. Patent zone colouring on every chart.

9 Chart Types

2D Scatter Plot

Any property on X/Y axis. Zone colouring. Lasso select.

3D Scatter Plot

Rotatable three-axis scatter. Zone colours.

Histogram

Distribution of any numeric property. Selection overlay.

Box Plot

Grouped by patent zone. All data points shown.

Violin Plot

Full distribution shape with mean line. Toggle with box.

Parallel Coordinates

Every numeric property as vertical axis. Zone colours.

Radar / Spider

Normalised profiles as polygons. Lipinski reference overlay.

Correlation Heatmap

Pearson r matrix. Diverging colour scale.

Bar Chart

Count by zone or any categorical column.

6 Layout Modes

◧ Scatter + Table ⊞ 2×2 Grid ◈ 3D Explorer ≡ Parallel Coords ◎ Radar ▦ Correlation

Key Capabilities

Feature	Detail
Linked selection	Lasso on scatter → highlights in table and all other charts simultaneously
Patent zone colouring	Consistent across every chart: red (literal match) → orange → yellow → green → cyan (novel)
Axis dropdowns	Swap any numeric property onto any axis. Auto-detects numeric columns from molecule data.
Publication export	PNG and SVG export via Plotly — publication-quality figures
Lipinski overlay	Radar chart shows drug-like reference polygon (MW ≤ 500, HBA ≤ 10, HBD ≤ 5, LogP ≤ 5)
Spotify-dark aesthetic	Dark canvas matching existing Discoverant theme. High-contrast data points.

Pharmacology-Correct Target Interactions DOMAIN

Based on: Dr. Donald Daley's domain review. Replaces the previous simplified interaction model with pharmacologically accurate terminology used in drug discovery literature.

Binding Mode (how it physically binds)

Orthosteric Allosteric Bitopic Covalent Non-covalent Conformational Selection Transient Non-specific

Functional Interaction (what it does)

Agonism

Full Agonist · Partial Agonist · Inverse Agonist · Biased Agonist · Superagonist

Antagonism

Competitive · Non-competitive · Uncompetitive · Mixed · Neutral

Allosteric Modulation

PAM (Positive) · NAM (Negative) · SAM (Silent)

Enzyme Inhibition

Competitive Inhibitor · Non-competitive · Uncompetitive · Suicide / Mechanism-based · Transition State Analogue

Other Mechanisms

Substrate · Pseudo-substrate · Cofactor Mimic · PPI Inhibitor · PPI Stabiliser · PROTAC Degrader

Additional Fields

Field	Values
Species	Human, Mouse, Rat, Dog, Monkey, Guinea Pig, Rabbit, Pig, Zebrafish, Hamster
Target Relationship	Primary Target · Homologue · Orthologue · Anti-target · Off-target
Help Tooltips	Every interaction type has an explanatory tooltip on hover

Session Timeout & Login UX FEATURE

Change	Detail
Login field label	"Email Address" (was "Username" — caused confusion during demos)
Inactivity timeout	Configurable: 5 minutes to 1 hour. Tracks mouse, keyboard, scroll, touch events.
Warning modal	Appears 60 seconds before auto-logout with countdown timer
Token cleanup	Auth tokens cleared on timeout — clean session state

Colourblind Accessibility Mode FEATURE

Five vision modes with palettes designed for distinct luminance differences, applied globally across every visual component.

👁 Normal 🔴 Protanopia 🟠 Deuteranopia 🔵 Tritanopia ⚫ Achromatopsia

Scope	Components Affected
Charts	All 9 Analyse chart types — scatter, box, violin, parallel, radar, heatmap, bar, histogram, correlation
Patent zones	Zone indicator dots, zone colouring on scatter/globe, zone badges
Heatmaps	Molecule grid heatmap mode
Patent views	Patent Map 2D Scatter, 3D Globe, Overlap, Jurisdictions
Access	Quick toggle in header bar or Settings page

User Profile & Avatar FEATURE

Component	Detail
Avatar circle	Header navigation — image upload or initials fallback (first + last name)
Username display	Shown next to avatar in nav bar
Profile dropdown	Settings, role display, logout
Admin control	Toggle to disable profile pictures org-wide

3D Globe Rotation Fix FIX

The Patent Map 3D Globe now auto-rotates for 3 seconds on load as an eye-catcher, then stops permanently on the first user interaction (click, drag, scroll). It never restarts unexpectedly — previous behaviour had it re-triggering after idle periods which confused users trying to inspect specific molecules.

MOL File Upload & Import Progress FEATURE

Improvement	Detail
.mol file support	Single-molecule `.mol` files now accepted alongside `.sdf`. File type validation updated.
Import progress bar	Live progress during file import. Polls backend for molecule count. Shows "Processing molecule 147 of 300…" with animated bar.
Completion summary	Success/error summary on completion with counts

Bug Fixes 7 FIXES

Export RXN button Fixed payload/response key mismatch — exports now work correctly

Quick Search name resolution "aspirin" now resolves to SMILES via ChEMBL lookup before searching

Structure Viewer Modal Click any structure thumbnail → 500×400 SVG modal. Previously non-functional.

Sidebar mystery elements Removed orphaned FULL/EXT mode indicator that appeared with no purpose

Import/Export labels "Import Excel" → "Import File". Removed non-functional PowerPoint tile.

Project list enriched Now shows molecule, reaction, protein, and file counts with proper formatting

Biologics tooltip Corrected to "Proteins" — was showing incorrect module description

Platform Audit Snapshot

Working

Broken

Partial

TODO

Full audit conducted across all platform features. 45 features confirmed working, 11 broken items identified for remediation, 7 partially working items catalogued, and 20 TODO items queued for future development.

Queued Next

Up next: These items are queued and ready to go.

Item	Status	Notes
Bingo index on patent_compounds	DONE	28.4M rows — built and verified on both della and delld
Structure tooltips on scatter	QUEUED	Hover over dot → shows 2D structure preview
Chemical space map (PCA/t-SNE)	QUEUED	Needs backend — dimensionality reduction on descriptors
Activity cliff detection	QUEUED	Needs backend — identify structurally similar but pharmacologically different pairs

Commits

Frontend

4be9a34 feat: Analyse view — 9 chart types, 6 layouts, linked selection
bbc6d3a feat: Pharmacology-correct target interactions, session timeout, accessibility
+ bug fixes, MOL support, import progress, user profile, 3D globe fix