corpus.blog
41554 blogs · [ { "id": "01a08777-2ef3-7192-bc85-1fa16350aa82", "title": "OpenADMET: Response to Pat Walters", "url": "http://fbdd-lit.blogspot.com/2026/08/openadmet-response-to-pat-walters.html", "published_at": "2026-08-04T06:38:47+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa17094e913", "title": "OpenADMET: Response to Pat Walters", "url": "https://fbdd-lit.blogspot.com/2026/08/openadmet-response-to-pat-walters.html", "published_at": "2026-08-04T06:38:47+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa163c3ed17", "title": "The OpenADMET initiative", "url": "http://fbdd-lit.blogspot.com/2026/07/the-openadmet-initiative.html", "published_at": "2026-07-27T20:38:39+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa170ad73e6", "title": "The OpenADMET initiative", "url": "https://fbdd-lit.blogspot.com/2026/07/the-openadmet-initiative.html", "published_at": "2026-07-27T20:38:39+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa164936f31", "title": "The OpenBind initiative", "url": "http://fbdd-lit.blogspot.com/2026/06/the-openbind-initiative.html", "published_at": "2026-06-22T14:37:04+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa170b6bada", "title": "The OpenBind initiative", "url": "https://fbdd-lit.blogspot.com/2026/06/the-openbind-initiative.html", "published_at": "2026-06-22T14:37:04+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa165601895", "title": "Two new open data initiatives", "url": "http://fbdd-lit.blogspot.com/2026/06/two-new-open-data-initiatives.html", "published_at": "2026-06-03T08:08:53+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa1714fce44", "title": "Two new open data initiatives", "url": "https://fbdd-lit.blogspot.com/2026/06/two-new-open-data-initiatives.html", "published_at": "2026-06-03T08:08:53+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa165b20952", "title": "Grand Challenges for Predictive Modeling in Small Molecule Drug Discovery", "url": "http://fbdd-lit.blogspot.com/2026/05/grand-challenges-for-predictive.html", "published_at": "2026-05-27T05:56:22+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa1724b1f95", "title": "Grand Challenges for Predictive Modeling in Small Molecule Drug Discovery", "url": "https://fbdd-lit.blogspot.com/2026/05/grand-challenges-for-predictive.html", "published_at": "2026-05-27T05:56:22+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa1664368b9", "title": "The objectives of drug design", "url": "http://fbdd-lit.blogspot.com/2026/05/the-objectives-of-drug-design.html", "published_at": "2026-05-20T05:40:24+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa173419fc1", "title": "The objectives of drug design", "url": "https://fbdd-lit.blogspot.com/2026/05/the-objectives-of-drug-design.html", "published_at": "2026-05-20T05:40:24+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa16689c81e", "title": "Comparing ML models in small molecule drug discovery", "url": "http://fbdd-lit.blogspot.com/2026/04/comparing-ml-models-in-small-molecule.html", "published_at": "2026-04-21T05:51:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa1740f9ea0", "title": "Comparing ML models in small molecule drug discovery", "url": "https://fbdd-lit.blogspot.com/2026/04/comparing-ml-models-in-small-molecule.html", "published_at": "2026-04-21T05:51:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa166eed0fa", "title": "PAINS and Prejudice", "url": "http://fbdd-lit.blogspot.com/2026/04/pains-and-prejudice.html", "published_at": "2026-04-01T06:04:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa1744f3dfa", "title": "PAINS and Prejudice", "url": "https://fbdd-lit.blogspot.com/2026/04/pains-and-prejudice.html", "published_at": "2026-04-01T06:04:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa1679cb8bb", "title": "Hit to Lead best practice?", "url": "http://fbdd-lit.blogspot.com/2026/01/hit-to-lead-best-practice.html", "published_at": "2025-12-31T17:22:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa175373738", "title": "Hit to Lead best practice?", "url": "https://fbdd-lit.blogspot.com/2026/01/hit-to-lead-best-practice.html", "published_at": "2025-12-31T17:22:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa167aa5ce0", "title": "Covalent ligand efficiency", "url": "http://fbdd-lit.blogspot.com/2025/11/covalent-ligand-efficiency.html", "published_at": "2025-11-30T22:54:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa1757ea34a", "title": "Covalent ligand efficiency", "url": "https://fbdd-lit.blogspot.com/2025/11/covalent-ligand-efficiency.html", "published_at": "2025-11-30T22:54:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa168736348", "title": "Return to Flatland", "url": "http://fbdd-lit.blogspot.com/2025/08/return-to-flatland.html", "published_at": "2025-08-05T20:39:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa176110135", "title": "Return to Flatland", "url": "https://fbdd-lit.blogspot.com/2025/08/return-to-flatland.html", "published_at": "2025-08-05T20:39:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa168f01bfa", "title": "Assembling data sets for training ML bioactivity models", "url": "http://fbdd-lit.blogspot.com/2025/07/building-datasets-to-train-ml-models.html", "published_at": "2025-07-06T20:02:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa176f85362", "title": "Assembling data sets for training ML bioactivity models", "url": "https://fbdd-lit.blogspot.com/2025/07/building-datasets-to-train-ml-models.html", "published_at": "2025-07-06T20:02:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa169b08106", "title": "Property Forecast Index Validated", "url": "http://fbdd-lit.blogspot.com/2025/04/property-forecast-index-validated.html", "published_at": "2025-03-31T23:29:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa177c09478", "title": "Property Forecast Index Validated", "url": "https://fbdd-lit.blogspot.com/2025/04/property-forecast-index-validated.html", "published_at": "2025-03-31T23:29:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa169e2eb1a", "title": "Thinking About Aqueous Solvation", "url": "http://fbdd-lit.blogspot.com/2025/03/thinking-about-aqueous-solvation.html", "published_at": "2025-03-09T19:50:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa1784f975d", "title": "Thinking About Aqueous Solvation", "url": "https://fbdd-lit.blogspot.com/2025/03/thinking-about-aqueous-solvation.html", "published_at": "2025-03-09T19:50:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa16a2fa504", "title": "Natural Intelligence?", "url": "http://fbdd-lit.blogspot.com/2024/12/natural-intelligence.html", "published_at": "2024-12-31T22:55:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa1789eee16", "title": "Natural Intelligence?", "url": "https://fbdd-lit.blogspot.com/2024/12/natural-intelligence.html", "published_at": "2024-12-31T22:55:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa16b1c8676", "title": "Assessment of AI-generated chemical structures using ML", "url": "http://fbdd-lit.blogspot.com/2024/10/assessment-of-ai-generated-chemical.html", "published_at": "2024-10-20T17:39:00+00:00" }, { "id": "01a08777-2ef4-7084-b402-b0d2e39901fc", "title": "Assessment of AI-generated chemical structures using ML", "url": "https://fbdd-lit.blogspot.com/2024/10/assessment-of-ai-generated-chemical.html", "published_at": "2024-10-20T17:39:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa16bf1fd71", "title": "Variability in biological activity measurements reported in the drug discovery literature", "url": "http://fbdd-lit.blogspot.com/2024/09/variability-in-biological-activity.html", "published_at": "2024-09-18T21:24:00+00:00" }, { "id": "01a08777-2ef4-7084-b402-b0d2e434f974", "title": "Variability in biological activity measurements reported in the drug discovery literature", "url": "https://fbdd-lit.blogspot.com/2024/09/variability-in-biological-activity.html", "published_at": "2024-09-18T21:24:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa16c81a7ff", "title": "A Nobel for property-based drug design?", "url": "http://fbdd-lit.blogspot.com/2024/07/a-nobel-for-property-based-drug-design.html", "published_at": "2024-07-30T22:04:00+00:00" }, { "id": "01a08777-2ef4-7084-b402-b0d2e475314f", "title": "A Nobel for property-based drug design?", "url": "https://fbdd-lit.blogspot.com/2024/07/a-nobel-for-property-based-drug-design.html", "published_at": "2024-07-30T22:04:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa16c94604e", "title": "A time and place for Nature in drug discovery?", "url": "http://fbdd-lit.blogspot.com/2024/05/a-time-and-place-for-nature-in-drug.html", "published_at": "2024-05-19T23:46:00+00:00" }, { "id": "01a08777-2ef4-7084-b402-b0d2e4a188a1", "title": "A time and place for Nature in drug discovery?", "url": "https://fbdd-lit.blogspot.com/2024/05/a-time-and-place-for-nature-in-drug.html", "published_at": "2024-05-19T23:46:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa16cbcafae", "title": "Standard states and solution thermodynamics", "url": "http://fbdd-lit.blogspot.com/2024/04/standard-states-and-solution.html", "published_at": "2024-04-01T06:46:00+00:00" }, { "id": "01a08777-2ef4-7084-b402-b0d2e4cc1c72", "title": "Standard states and solution thermodynamics", "url": "https://fbdd-lit.blogspot.com/2024/04/standard-states-and-solution.html", "published_at": "2024-04-01T06:46:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa16d994ca5", "title": "Leadeth me unto Truth and delivereth me from those who have already found it", "url": "http://fbdd-lit.blogspot.com/2024/03/leadeth-me-unto-truth-and-delivereth-me.html", "published_at": "2024-03-27T06:02:00+00:00" }, { "id": "01a08777-2ef4-7084-b402-b0d2e56d488f", "title": "Leadeth me unto Truth and delivereth me from those who have already found it", "url": "https://fbdd-lit.blogspot.com/2024/03/leadeth-me-unto-truth-and-delivereth-me.html", "published_at": "2024-03-27T06:02:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa16e52927d", "title": "Chemical con artists foil drug discovery", "url": "http://fbdd-lit.blogspot.com/2023/12/chemical-con-artists-foil-drug-discovery.html", "published_at": "2023-12-31T17:20:00+00:00" }, { "id": "01a08777-2ef4-7084-b402-b0d2e5783186", "title": "Chemical con artists foil drug discovery", "url": "https://fbdd-lit.blogspot.com/2023/12/chemical-con-artists-foil-drug-discovery.html", "published_at": "2023-12-31T17:20:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa16eb07d81", "title": "On quality criteria for covalent and degrader probes", "url": "http://fbdd-lit.blogspot.com/2023/12/on-quality-criteria-for-covalent-and.html", "published_at": "2023-12-19T10:02:00+00:00" }, { "id": "01a08777-2ef4-7084-b402-b0d2e5e3aef8", "title": "On quality criteria for covalent and degrader probes", "url": "https://fbdd-lit.blogspot.com/2023/12/on-quality-criteria-for-covalent-and.html", "published_at": "2023-12-19T10:02:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa16ede5306", "title": "Are fused tetrahydroquinolines interfering with your assay?", "url": "http://fbdd-lit.blogspot.com/2023/12/are-fused-tetrahydroquinolines.html", "published_at": "2023-12-06T18:42:00+00:00" }, { "id": "01a08777-2ef4-7084-b402-b0d2e6e29cc5", "title": "Are fused tetrahydroquinolines interfering with your assay?", "url": "https://fbdd-lit.blogspot.com/2023/12/are-fused-tetrahydroquinolines.html", "published_at": "2023-12-06T18:42:00+00:00" }, { "id": "01a08777-2ef3-7192-bc85-1fa16fb76a8d", "title": "On the misuse of chemical probes", "url": "http://fbdd-lit.blogspot.com/2023/11/on-misuse-of-chemical-probes.html", "published_at": "2023-11-19T17:36:00+00:00" }, { "id": "01a08777-2ef4-7084-b402-b0d2e724dfe6", "title": "On the misuse of chemical probes", "url": "https://fbdd-lit.blogspot.com/2023/11/on-misuse-of-chemical-probes.html", "published_at": "2023-11-19T17:36:00+00:00" }, { "id": "01a0c51b-bce2-7282-b87e-129c8c2eb02d", "title": "Five days in Vermont", "url": "http://fbdd-lit.blogspot.com/2023/09/five-days-in-vermont.html", 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to design of covalent inhibitors of SARS-CoV-2 main protease", "url": "https://fbdd-lit.blogspot.com/2023/01/some-approaches-to-design-of-covalent.html", "published_at": "2023-01-19T20:21:00+00:00" }, { "id": "01a0c51b-bce2-7282-b87e-129c92369dc8", "title": "Assessment of chemical probes", "url": "http://fbdd-lit.blogspot.com/2023/01/assessment-of-chemical-probes.html", "published_at": "2023-01-02T21:12:00+00:00" }, { "id": "01a0c51b-bcfc-7355-92b8-7d9602b97fc0", "title": "Assessment of chemical probes", "url": "https://fbdd-lit.blogspot.com/2023/01/assessment-of-chemical-probes.html", "published_at": "2023-01-02T21:12:00+00:00" }, { "id": "01a0c51b-bce2-7282-b87e-129c9331ba04", "title": "HB Donor Fragment Selection Themes", "url": "http://fbdd-lit.blogspot.com/2022/07/hb-donor-fragment-selection-themes.html", "published_at": "2022-07-24T16:13:00+00:00" }, { "id": "01a0c51b-bcfc-7355-92b8-7d9602c04057", "title": "HB Donor Fragment Selection Themes", "url": "https://fbdd-lit.blogspot.com/2022/07/hb-donor-fragment-selection-themes.html", "published_at": "2022-07-24T16:13:00+00:00" }, { "id": "01a0c51b-bce2-7282-b87e-129c9425a7f9", "title": "Enthalpic fragments", "url": "http://fbdd-lit.blogspot.com/2022/04/enthalpic-fragments.html", "published_at": "2022-04-01T06:50:00+00:00" }, { "id": "01a0c51b-bcfc-7355-92b8-7d9602fa412c", "title": "Enthalpic fragments", "url": "https://fbdd-lit.blogspot.com/2022/04/enthalpic-fragments.html", "published_at": "2022-04-01T06:50:00+00:00" }, { "id": "01a0c51b-bce2-7282-b87e-129c9483f064", "title": "Tom Lehrer's guide to design of SARS-CoV-3 main protease inhibitors for treatment of COVID-32", "url": "http://fbdd-lit.blogspot.com/2021/01/tom-lehrers-guide-to-design-of-sars-cov.html", "published_at": "2021-01-12T10:46:00+00:00" }, { "id": "01a0c51b-bcfc-7355-92b8-7d9603d2f097", "title": "Tom Lehrer's guide to design of SARS-CoV-3 main protease inhibitors for treatment of COVID-32", "url": "https://fbdd-lit.blogspot.com/2021/01/tom-lehrers-guide-to-design-of-sars-cov.html", "published_at": "2021-01-12T10:46:00+00:00" }, { "id": "01a0c51b-bce2-7282-b87e-129c94f65af0", "title": "How not to repurpose a 'drug'", "url": "http://fbdd-lit.blogspot.com/2020/05/how-not-to-repurpose-drug.html", "published_at": "2020-08-09T18:44:00+00:00" }, { "id": "01a0c51b-bcfc-7355-92b8-7d9604bf9c48", "title": "How not to repurpose a 'drug'", "url": "https://fbdd-lit.blogspot.com/2020/05/how-not-to-repurpose-drug.html", "published_at": "2020-08-09T18:44:00+00:00" }, { "id": "01a0c51b-bce2-7282-b87e-129c956ac000", "title": "Why fragments?", "url": "http://fbdd-lit.blogspot.com/2020/08/why-fragments.html", "published_at": "2020-08-02T13:47:00+00:00" }, { "id": "01a0c51b-bcfc-7355-92b8-7d96050825b1", "title": "Why fragments?", "url": "https://fbdd-lit.blogspot.com/2020/08/why-fragments.html", "published_at": "2020-08-02T13:47:00+00:00" }, { "id": "01a0c51b-bce2-7282-b87e-129c95c537bb", "title": "SARS-CoV-2 main protease. Crowdsourcing, peptidomimetics and fragments", "url": "http://fbdd-lit.blogspot.com/2020/07/sars-cov-2-main-protease-crowdsourcing.html", "published_at": "2020-07-18T22:04:00+00:00" }, { "id": "01a0c51b-bcfc-7355-92b8-7d960511e3dd", "title": "SARS-CoV-2 main protease. Crowdsourcing, peptidomimetics and fragments", "url": "https://fbdd-lit.blogspot.com/2020/07/sars-cov-2-main-protease-crowdsourcing.html", "published_at": "2020-07-18T22:04:00+00:00" }, { "id": "01a0c51b-bce2-7282-b87e-129c963ab077", "title": "COVID-19 stuff", "url": "http://fbdd-lit.blogspot.com/2020/05/covid-19-stuff.html", "published_at": "2020-05-27T03:20:00+00:00" }, { "id": "01a0c51b-bcfc-7355-92b8-7d9605d8bcd2", "title": "COVID-19 stuff", "url": "https://fbdd-lit.blogspot.com/2020/05/covid-19-stuff.html", "published_at": "2020-05-27T03:20:00+00:00" }, { "id": "01a0c51b-bce2-7282-b87e-129c964223e9", "title": "Transforming computational drug discovery (but maybe not)", "url": "http://fbdd-lit.blogspot.com/2019/05/transforming-computational-drug.html", "published_at": "2019-05-29T02:59:00+00:00" }, { "id": "01a0c51b-bcfc-7355-92b8-7d9606c15e4d", "title": "Transforming computational drug discovery (but maybe not)", "url": "https://fbdd-lit.blogspot.com/2019/05/transforming-computational-drug.html", "published_at": "2019-05-29T02:59:00+00:00" }, { "id": "01a0c51b-bce2-7282-b87e-129c9726bab0", "title": "Efficient trajectories", "url": "http://fbdd-lit.blogspot.com/2019/05/efficient-trajectories.html", "published_at": "2019-05-11T19:21:00+00:00" }, { "id": "01a0c51b-bcfc-7355-92b8-7d96077d193e", "title": "Efficient trajectories", "url": "https://fbdd-lit.blogspot.com/2019/05/efficient-trajectories.html", "published_at": "2019-05-11T19:21:00+00:00" }, { "id": "01a0c51b-bce2-7282-b87e-129c97b42212", "title": "A couple of talks on Figshare", "url": "http://fbdd-lit.blogspot.com/2019/04/a-couple-of-talks-on-figshare.html", "published_at": "2019-04-09T17:35:00+00:00" }, { "id": "01a0c51b-bcfc-7355-92b8-7d9607e811a7", "title": "A couple of talks on Figshare", "url": "https://fbdd-lit.blogspot.com/2019/04/a-couple-of-talks-on-figshare.html", "published_at": "2019-04-09T17:35:00+00:00" }, { "id": "01a0c51b-bce2-7282-b87e-129c97b47f76", "title": "Enthalpy-driven pharmacokinetics", "url": "http://fbdd-lit.blogspot.com/2019/04/enthalpy-driven-pharmacokinetics.html", "published_at": "2019-04-01T05:44:00+00:00" }, { "id": "01a0c51b-bcfc-7355-92b8-7d96088ec19a", "title": "Enthalpy-driven pharmacokinetics", "url": "https://fbdd-lit.blogspot.com/2019/04/enthalpy-driven-pharmacokinetics.html", "published_at": "2019-04-01T05:44:00+00:00" }, { "id": "01a0c51b-bce2-7282-b87e-129c985feee6", "title": "The nature of ligand efficiency", "url": "http://fbdd-lit.blogspot.com/2019/02/the-nature-of-ligand-efficiency.html", "published_at": "2019-02-08T13:16:00+00:00" }, { "id": "01a0c51b-bcfc-7355-92b8-7d960988cbc3", "title": "The nature of ligand efficiency", "url": "https://fbdd-lit.blogspot.com/2019/02/the-nature-of-ligand-efficiency.html", "published_at": "2019-02-08T13:16:00+00:00" }, { "id": "01a0c51b-bce2-7282-b87e-129c98945d6b", "title": "Reviewing the reviewers", "url": "http://fbdd-lit.blogspot.com/2019/01/reviewing-reviewers.html", "published_at": "2019-01-27T19:32:00+00:00" }, { "id": "01a0c51b-bcfc-7355-92b8-7d960a315502", "title": "Reviewing the reviewers", "url": "https://fbdd-lit.blogspot.com/2019/01/reviewing-reviewers.html", "published_at": "2019-01-27T19:32:00+00:00" } ] posts Claim your blog
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Molecular Design

fbdd-lit.blogspot.com

2026

OpenADMET: Response to Pat Waltersoriginal ↗
4 Aug 2026
OpenADMET: Response to Pat Waltersoriginal ↗
4 Aug 2026
The OpenADMET initiativeoriginal ↗
27 Jul 2026
The OpenADMET initiativeoriginal ↗
27 Jul 2026
The OpenBind initiativeoriginal ↗
22 Jun 2026
The OpenBind initiativeoriginal ↗
22 Jun 2026
Two new open data initiativesoriginal ↗
3 Jun 2026
Two new open data initiativesoriginal ↗
3 Jun 2026
Grand Challenges for Predictive Modeling in Small Molecule Drug Discoveryoriginal ↗
27 May 2026
Grand Challenges for Predictive Modeling in Small Molecule Drug Discoveryoriginal ↗
27 May 2026
The objectives of drug designoriginal ↗
20 May 2026
The objectives of drug designoriginal ↗
20 May 2026
Comparing ML models in small molecule drug discoveryoriginal ↗
21 Apr 2026
Comparing ML models in small molecule drug discoveryoriginal ↗
21 Apr 2026
PAINS and Prejudiceoriginal ↗
1 Apr 2026
PAINS and Prejudiceoriginal ↗
1 Apr 2026

2025

Hit to Lead best practice?original ↗
31 Dec 2025
Hit to Lead best practice?original ↗
31 Dec 2025
Covalent ligand efficiencyoriginal ↗
30 Nov 2025
Covalent ligand efficiencyoriginal ↗
30 Nov 2025
Return to Flatlandoriginal ↗
5 Aug 2025
Return to Flatlandoriginal ↗
5 Aug 2025
Assembling data sets for training ML bioactivity modelsoriginal ↗
6 Jul 2025
Assembling data sets for training ML bioactivity modelsoriginal ↗
6 Jul 2025
Property Forecast Index Validatedoriginal ↗
31 Mar 2025
Property Forecast Index Validatedoriginal ↗
31 Mar 2025
Thinking About Aqueous Solvationoriginal ↗
9 Mar 2025
Thinking About Aqueous Solvationoriginal ↗
9 Mar 2025

2024

Natural Intelligence?original ↗
31 Dec 2024
Natural Intelligence?original ↗
31 Dec 2024
Assessment of AI-generated chemical structures using MLoriginal ↗
20 Oct 2024
Assessment of AI-generated chemical structures using MLoriginal ↗
20 Oct 2024
Variability in biological activity measurements reported in the drug discovery literatureoriginal ↗
18 Sept 2024
Variability in biological activity measurements reported in the drug discovery literatureoriginal ↗
18 Sept 2024
A Nobel for property-based drug design?original ↗
30 Jul 2024
A Nobel for property-based drug design?original ↗
30 Jul 2024
A time and place for Nature in drug discovery?original ↗
19 May 2024
A time and place for Nature in drug discovery?original ↗
19 May 2024
Standard states and solution thermodynamicsoriginal ↗
1 Apr 2024
Standard states and solution thermodynamicsoriginal ↗
1 Apr 2024
Leadeth me unto Truth and delivereth me from those who have already found itoriginal ↗
27 Mar 2024
Leadeth me unto Truth and delivereth me from those who have already found itoriginal ↗
27 Mar 2024

2023

Chemical con artists foil drug discoveryoriginal ↗
31 Dec 2023
Chemical con artists foil drug discoveryoriginal ↗
31 Dec 2023
On quality criteria for covalent and degrader probesoriginal ↗
19 Dec 2023
On quality criteria for covalent and degrader probesoriginal ↗
19 Dec 2023
Are fused tetrahydroquinolines interfering with your assay?original ↗
6 Dec 2023
Are fused tetrahydroquinolines interfering with your assay?original ↗
6 Dec 2023
On the misuse of chemical probesoriginal ↗
19 Nov 2023
On the misuse of chemical probesoriginal ↗
19 Nov 2023
Five days in Vermontoriginal ↗
27 Sept 2023
Five days in Vermontoriginal ↗
27 Sept 2023
Blogger Meets Bloggeroriginal ↗
26 Jul 2023
Blogger Meets Bloggeroriginal ↗
26 Jul 2023
AI-based drug design?original ↗
18 Jul 2023
AI-based drug design?original ↗
18 Jul 2023
Archbishop Ussher's guide to efficient selection of development candidatesoriginal ↗
8 Jun 2023
Archbishop Ussher's guide to efficient selection of development candidatesoriginal ↗
8 Jun 2023
A clear demonstration of the benefits of long residence timeoriginal ↗
1 Apr 2023
A clear demonstration of the benefits of long residence timeoriginal ↗
1 Apr 2023
Structural alerts and assessment of chemical probesoriginal ↗
22 Feb 2023
Structural alerts and assessment of chemical probesoriginal ↗
22 Feb 2023
Frequent-hitter behavior and promiscuityoriginal ↗
15 Feb 2023
Frequent-hitter behavior and promiscuityoriginal ↗
15 Feb 2023
Chemical probes and permeabilityoriginal ↗
8 Feb 2023
Chemical probes and permeabilityoriginal ↗
8 Feb 2023
More approaches to design of covalent inhibitors of SARS-CoV-2 main proteaseoriginal ↗
28 Jan 2023
More approaches to design of covalent inhibitors of SARS-CoV-2 main proteaseoriginal ↗
28 Jan 2023
Assessment of chemical probes: response to Practical Fragmentsoriginal ↗
25 Jan 2023
Assessment of chemical probes: response to Practical Fragmentsoriginal ↗
25 Jan 2023
Some approaches to design of covalent inhibitors of SARS-CoV-2 main proteaseoriginal ↗
19 Jan 2023
Some approaches to design of covalent inhibitors of SARS-CoV-2 main proteaseoriginal ↗
19 Jan 2023
Assessment of chemical probesoriginal ↗
2 Jan 2023
Assessment of chemical probesoriginal ↗
2 Jan 2023

2022

HB Donor Fragment Selection Themesoriginal ↗
24 Jul 2022
HB Donor Fragment Selection Themesoriginal ↗
24 Jul 2022
Enthalpic fragmentsoriginal ↗
1 Apr 2022
Enthalpic fragmentsoriginal ↗
1 Apr 2022

2021

Tom Lehrer's guide to design of SARS-CoV-3 main protease inhibitors for treatment of COVID-32original ↗
12 Jan 2021
Tom Lehrer's guide to design of SARS-CoV-3 main protease inhibitors for treatment of COVID-32original ↗
12 Jan 2021

2020

How not to repurpose a 'drug'original ↗
9 Aug 2020
How not to repurpose a 'drug'original ↗
9 Aug 2020
Why fragments?original ↗
2 Aug 2020
Why fragments?original ↗
2 Aug 2020
SARS-CoV-2 main protease. Crowdsourcing, peptidomimetics and fragmentsoriginal ↗
18 Jul 2020
SARS-CoV-2 main protease. Crowdsourcing, peptidomimetics and fragmentsoriginal ↗
18 Jul 2020
COVID-19 stufforiginal ↗
27 May 2020
COVID-19 stufforiginal ↗
27 May 2020

2019

Transforming computational drug discovery (but maybe not)original ↗
29 May 2019
Transforming computational drug discovery (but maybe not)original ↗
29 May 2019
Efficient trajectoriesoriginal ↗
11 May 2019
Efficient trajectoriesoriginal ↗
11 May 2019
A couple of talks on Figshareoriginal ↗
9 Apr 2019
A couple of talks on Figshareoriginal ↗
9 Apr 2019
Enthalpy-driven pharmacokineticsoriginal ↗
1 Apr 2019
Enthalpy-driven pharmacokineticsoriginal ↗
1 Apr 2019
The nature of ligand efficiencyoriginal ↗
8 Feb 2019
The nature of ligand efficiencyoriginal ↗
8 Feb 2019
Reviewing the reviewersoriginal ↗
27 Jan 2019
Reviewing the reviewersoriginal ↗
27 Jan 2019
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