
doi: 10.5281/zenodo.20286999 , 10.5281/zenodo.18630927 , 10.5281/zenodo.19545612 , 10.5281/zenodo.18760358 , 10.5281/zenodo.18886610 , 10.5281/zenodo.18492675 , 10.5281/zenodo.19744526 , 10.5281/zenodo.19560376 , 10.5281/zenodo.18826782 , 10.5281/zenodo.18625424 , 10.5281/zenodo.18801075 , 10.5281/zenodo.18504361 , 10.5281/zenodo.19564741
doi: 10.5281/zenodo.20286999 , 10.5281/zenodo.18630927 , 10.5281/zenodo.19545612 , 10.5281/zenodo.18760358 , 10.5281/zenodo.18886610 , 10.5281/zenodo.18492675 , 10.5281/zenodo.19744526 , 10.5281/zenodo.19560376 , 10.5281/zenodo.18826782 , 10.5281/zenodo.18625424 , 10.5281/zenodo.18801075 , 10.5281/zenodo.18504361 , 10.5281/zenodo.19564741
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.
machine-learning, cheminformatics, rdkit, chemical-structure-validation, drug-discovery
machine-learning, cheminformatics, rdkit, chemical-structure-validation, drug-discovery
| 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). | 0 | |
| 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. | Average | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Average | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Average |
