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ChemAudit

Authors: Rajan, Kohulan; Steinbeck, Christoph;
Abstract

1.7.0 (2026-05-11) Features delight: bench-register batch completion language (impeccable D3) (5e061a7) delight: chemistry-accurate loading messages cycle (impeccable D1) (482c46d) delight: chemistry-aware empty state for structure preview (impeccable D2) (97a95ef) delight: console citation easter egg for developer-chemists (impeccable A4) (b4ae33a) delight: structure preview caption shows formula and MW (impeccable D4) (6302bbf) integrations: add QLever as fallback Wikidata SPARQL endpoint (4103627) ui: All Checks expands to full-width 4-up grid (19f23f2) ui: All Checks panel morphs from right column to full-width on expand (35747b8) ui: categorize All Checks panel into 7 sections with hover delight (70b448a) ui: colorize Molecule Info stat tiles + input-type badge (impeccable colorize) (9c21fe0) ui: diagnostic tab dot colours by result state (impeccable E1) (90dfc2c) ui: distill SingleValidation to 3 primary tabs + disclosure (impeccable phase 4) (6254bce) ui: parse error sub-typing with bench-grade hints (impeccable E2) (e32ec0f) ui: semantic icon colour on action row buttons (impeccable colorize) (d73c8dc) ui: single floating All Checks card with sequenced position+size animation (30604c3) ui: tab has-result dot indicator (impeccable critique P1) (28cdf0f) Bug Fixes a11y: hasResult dot announces 'has results' to screen readers (impeccable A3) (d9c989a) deps: resolve 15 dependency vulnerabilities across frontend and docs-site (3cc5321) lint: remove unused no-console eslint-disable directive (46ae427) ui: All Checks card moves straight down (not diagonally) (5ce0536) ui: clarify error messages, empty states, and form labels (2651d04) ui: clarify NP-Likeness copy (impeccable clarify NP-Likeness) (e5352cc) ui: close 24px gap before All Checks and equalize score tile heights (4a88c47) ui: database lookup error now surfaces to user (impeccable B1, P0) (49e1ef0) ui: error recovery + minor observations (impeccable phase 6) (df7d375) ui: gate Safety / Compound Profile auto-screen on validation result (impeccable B2, P1) (144eed0) ui: gate Score button on validation completion (impeccable critique P1) (52d69bd) ui: gate validate-tab right-column panels on activeTab (impeccable B3, P1) (c79be9e) ui: inline check descriptions + bigger cell height in All Checks grid (0d3cf4c) ui: IssueSeverityTags 'All clear' uses gold-amber per Warm-Status Rule (impeccable A2) (af112a2) ui: make More analysis disclosure always discoverable on SingleValidation (5a94186) ui: measure All Checks bounds via offset chain (3341823) ui: measure All Checks bounds via offset chain to avoid transform jitter (29b91b8) ui: merge duplicate lucide-react import in SingleValidation (94660d5) ui: move ScoringResults + DatabaseComparisonPanel into right column (impeccable C1, P1) (3bf26ba) ui: proper claymorphism on NP-Likeness track + marker (impeccable clarify NP-Likeness) (0c148b4) ui: purge off-brand colors and absolute-ban anti-patterns (00511e6) ui: quiet About page background motion (impeccable phase 5) (0e00eec) ui: replace amber-on-amber pass styling with prominent gold + CheckCircle2 (impeccable critique P0) (fa6b36a) ui: replace lock emoji with Lock icon (impeccable A1) (3537002) ui: replace More analysis disclosure with two-row tab layout (a6c2714) ui: replace tab descriptions with first-actionable guidance (impeccable F.P2-A) (8cbe4ff) ui: residual color and absolute-ban cleanup (phase 2.5) (ed63f02) ui: revert ScoringResults to full-width below grid + auto-scroll on land (2c2b2bf) ui: SingleValidation error card recovery parity (impeccable critique P0) (17025ef) ui: smooth single-element morph for All Checks panel (4b59703) ui: unify SingleValidation action row buttons (impeccable clarify) (272c465) ui: unify two SingleValidation tab rows into a single tray (5605acf) Documentation ui: clarify ScoreChart 'cool' variant is rose/crimson not blue (impeccable F.P2-C) (23d8548)

If you use this software, please cite it as below.

Keywords

machine-learning, cheminformatics, rdkit, chemical-structure-validation, drug-discovery

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    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average