corpus.blog
41554 blogs · [ { "id": "01a0c526-fd79-72b9-b209-5a3cc2a9cdf3", "title": "Response to Pat Walters on ML in drug discovery", "url": "https://fbdd-lit.blogspot.com/2019/01/response-to-pat-walters-on-ml-in-drug.html", "published_at": "2019-01-21T12:36:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd99fcae3f5e", "title": "Response to Pat Walters on ML in drug discovery", "url": "http://fbdd-lit.blogspot.com/2019/01/response-to-pat-walters-on-ml-in-drug.html", "published_at": "2019-01-21T12:36:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3cc2db4eee", "title": "Thoughts on AI in Drug Discovery - A Practical View From the Trenches", "url": "https://fbdd-lit.blogspot.com/2019/01/thoughts-on-ai-in-drug-discovery.html", "published_at": "2019-01-17T01:34:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd99fd30f382", "title": "Thoughts on AI in Drug Discovery - A Practical View From the Trenches", "url": "http://fbdd-lit.blogspot.com/2019/01/thoughts-on-ai-in-drug-discovery.html", "published_at": "2019-01-17T01:34:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3cc38ebe01", "title": "Ligand efficiency and fragment-to-lead optimizations", "url": "https://fbdd-lit.blogspot.com/2018/11/ligand-efficiency-and-fragment-to-lead.html", "published_at": "2018-11-30T19:07:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd99fe1f3ed0", "title": "Ligand efficiency and fragment-to-lead optimizations", "url": "http://fbdd-lit.blogspot.com/2018/11/ligand-efficiency-and-fragment-to-lead.html", "published_at": "2018-11-30T19:07:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3cc48c6237", "title": "A PAINful itch", "url": "https://fbdd-lit.blogspot.com/2018/10/a-painful-itch.html", "published_at": "2018-10-14T21:03:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd99fef31594", "title": "A PAINful itch", "url": "http://fbdd-lit.blogspot.com/2018/10/a-painful-itch.html", "published_at": "2018-10-14T21:03:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3cc49846a2", "title": "More hydrogen bonding asymmetries", "url": "https://fbdd-lit.blogspot.com/2018/10/more-hydrogen-bonding-asymmetries.html", "published_at": "2018-10-07T16:21:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd99ff7f706a", "title": "More hydrogen bonding asymmetries", "url": "http://fbdd-lit.blogspot.com/2018/10/more-hydrogen-bonding-asymmetries.html", "published_at": "2018-10-07T16:21:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3cc4b3ac5c", "title": "Hydrogen bonding asymmetries", "url": "https://fbdd-lit.blogspot.com/2018/09/hydrogen-bonding-asymmetries.html", "published_at": "2018-09-30T17:35:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd9a002d7684", "title": "Hydrogen bonding asymmetries", "url": "http://fbdd-lit.blogspot.com/2018/09/hydrogen-bonding-asymmetries.html", "published_at": "2018-09-30T17:35:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3cc540f25e", "title": "On the Nature of QSAR", "url": "https://fbdd-lit.blogspot.com/2018/09/on-nature-of-qsar.html", "published_at": "2018-09-13T20:45:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd9a00f04dba", "title": "On the Nature of QSAR", "url": "http://fbdd-lit.blogspot.com/2018/09/on-nature-of-qsar.html", "published_at": "2018-09-13T20:45:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3cc612b501", "title": "Hammett", "url": "https://fbdd-lit.blogspot.com/2018/04/hammett.html", "published_at": "2018-04-06T23:25:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd9a01e7f6e4", "title": "Hammett", "url": "http://fbdd-lit.blogspot.com/2018/04/hammett.html", "published_at": "2018-04-06T23:25:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3cc6b0b471", "title": "The maximal quality of molecular interactions", "url": "https://fbdd-lit.blogspot.com/2018/04/the-maximal-quality-of-molecular.html", "published_at": "2018-03-31T23:50:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd9a0287a5e9", "title": "The maximal quality of molecular interactions", "url": "http://fbdd-lit.blogspot.com/2018/04/the-maximal-quality-of-molecular.html", "published_at": "2018-03-31T23:50:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3cc776cd3a", "title": "Eu matei o Oscar Niemeyer", "url": "https://fbdd-lit.blogspot.com/2017/12/eu-matei-oscar-niemeyer.html", "published_at": "2017-12-15T08:32:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd9a02b1efdc", "title": "Eu matei o Oscar Niemeyer", "url": "http://fbdd-lit.blogspot.com/2017/12/eu-matei-oscar-niemeyer.html", "published_at": "2017-12-15T08:32:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3cc7d29831", "title": "Hydrogen bonding and electronegativity", "url": "https://fbdd-lit.blogspot.com/2017/11/hydrogen-bonding-and-electroengativity.html", "published_at": "2017-11-09T23:32:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd9a02d67406", "title": "Hydrogen bonding and electronegativity", "url": "http://fbdd-lit.blogspot.com/2017/11/hydrogen-bonding-and-electroengativity.html", "published_at": "2017-11-09T23:32:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3cc8ab1106", "title": "War and PAINS", "url": "https://fbdd-lit.blogspot.com/2017/10/war-and-pains.html", "published_at": "2017-10-23T09:14:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd9a038e5a64", "title": "War and PAINS", "url": "http://fbdd-lit.blogspot.com/2017/10/war-and-pains.html", "published_at": "2017-10-23T09:14:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3cc962c214", "title": "The resurrection of Maxwell's Demon", "url": "https://fbdd-lit.blogspot.com/2017/10/the-resurrection-of-maxwells-demon.html", "published_at": "2017-10-12T13:19:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd9a03d3d214", "title": "The resurrection of Maxwell's Demon", "url": "http://fbdd-lit.blogspot.com/2017/10/the-resurrection-of-maxwells-demon.html", "published_at": "2017-10-12T13:19:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3cc9a1aea9", "title": "To logP or logD, that is the question", "url": "https://fbdd-lit.blogspot.com/2017/09/to-logp-or-logd-that-is-question.html", "published_at": "2017-09-20T11:40:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd9a042577b3", "title": "To logP or logD, that is the question", "url": "http://fbdd-lit.blogspot.com/2017/09/to-logp-or-logd-that-is-question.html", "published_at": "2017-09-20T11:40:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3cc9d7e698", "title": "A concentration of scoring functions", "url": "https://fbdd-lit.blogspot.com/2017/04/a-concentration-of-scoring-functions.html", "published_at": "2017-04-01T02:56:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd9a04e58202", "title": "A concentration of scoring functions", "url": "http://fbdd-lit.blogspot.com/2017/04/a-concentration-of-scoring-functions.html", "published_at": "2017-04-01T02:56:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3cca709ae3", "title": "PAINS and editorial policy", "url": "https://fbdd-lit.blogspot.com/2017/01/pains-and-editorial-policy.html", "published_at": "2017-01-24T02:36:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd9a05a785b3", "title": "PAINS and editorial policy", "url": "http://fbdd-lit.blogspot.com/2017/01/pains-and-editorial-policy.html", "published_at": "2017-01-24T02:36:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3ccafdebe6", "title": "Confessions of a Units Nazi", "url": "https://fbdd-lit.blogspot.com/2017/01/confessions-of-units-nazi.html", "published_at": "2017-01-06T00:37:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd9a05d2daf2", "title": "Confessions of a Units Nazi", "url": "http://fbdd-lit.blogspot.com/2017/01/confessions-of-units-nazi.html", "published_at": "2017-01-06T00:37:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3ccb5672b7", "title": "PAINS: a question of applicability domain?", "url": "https://fbdd-lit.blogspot.com/2016/06/pains-question-of-applicability-domain.html", "published_at": "2016-06-12T17:32:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd9a060ff612", "title": "PAINS: a question of applicability domain?", "url": "http://fbdd-lit.blogspot.com/2016/06/pains-question-of-applicability-domain.html", "published_at": "2016-06-12T17:32:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3ccb9211ae", "title": "Yet more on ligand efficiency metrics", "url": "https://fbdd-lit.blogspot.com/2016/06/yet-more-on-ligand-efficiency-metrics.html", "published_at": "2016-06-03T13:36:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd9a06d35d37", "title": "Yet more on ligand efficiency metrics", "url": "http://fbdd-lit.blogspot.com/2016/06/yet-more-on-ligand-efficiency-metrics.html", "published_at": "2016-06-03T13:36:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3ccc19811f", "title": "Sailor Malan's guide to fragment screening library design", "url": "https://fbdd-lit.blogspot.com/2016/05/sailor-malans-guide-to-fragment.html", "published_at": "2016-05-22T16:40:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd9a07675210", "title": "Sailor Malan's guide to fragment screening library design", "url": "http://fbdd-lit.blogspot.com/2016/05/sailor-malans-guide-to-fragment.html", "published_at": "2016-05-22T16:40:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3cccbba09e", "title": "A real world perspective on molecular design", "url": "https://fbdd-lit.blogspot.com/2016/05/a-real-world-perspective-on-molecular.html", "published_at": "2016-05-08T20:34:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd9a07f52e90", "title": "A real world perspective on molecular design", "url": "http://fbdd-lit.blogspot.com/2016/05/a-real-world-perspective-on-molecular.html", "published_at": "2016-05-08T20:34:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3cccd75828", "title": "LELP metric validated", "url": "https://fbdd-lit.blogspot.com/2016/04/lelp-metric-validated.html", "published_at": "2016-04-01T02:35:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd9a08a44333", "title": "LELP metric validated", "url": "http://fbdd-lit.blogspot.com/2016/04/lelp-metric-validated.html", "published_at": "2016-04-01T02:35:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3cccdf85a6", "title": "Ligand efficiency beyond the rule of 5", "url": "https://fbdd-lit.blogspot.com/2016/03/ligand-efficiency-beyond-rule-of-5.html", "published_at": "2016-03-10T14:51:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd9a0939e034", "title": "Ligand efficiency beyond the rule of 5", "url": "http://fbdd-lit.blogspot.com/2016/03/ligand-efficiency-beyond-rule-of-5.html", "published_at": "2016-03-10T14:51:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3ccd934385", "title": "On Sci-Hub", "url": "https://fbdd-lit.blogspot.com/2016/03/on-sci-hub.html", "published_at": "2016-03-07T00:13:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd9a094055a5", "title": "On Sci-Hub", "url": "http://fbdd-lit.blogspot.com/2016/03/on-sci-hub.html", "published_at": "2016-03-07T00:13:00+00:00" }, { "id": "01a0c526-fd79-72b9-b209-5a3cce288479", "title": "The boys who cried wolf", "url": "https://fbdd-lit.blogspot.com/2016/02/the-boys-who-cried-wolf.html", "published_at": "2016-02-29T22:39:00+00:00" }, { "id": "01a0c527-058d-7204-9d11-bd9a09deee8f", "title": "The boys who cried wolf", "url": "http://fbdd-lit.blogspot.com/2016/02/the-boys-who-cried-wolf.html", "published_at": "2016-02-29T22:39:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c1903ba84", "title": "Looking back at 2015", "url": "http://fbdd-lit.blogspot.com/2016/01/looking-back-at-2015.html", "published_at": "2016-01-06T00:00:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60efac048de", "title": "Looking back at 2015", "url": "https://fbdd-lit.blogspot.com/2016/01/looking-back-at-2015.html", "published_at": "2016-01-06T00:00:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c194f0763", "title": "The homeopathic limit of ligand efficiency", "url": "http://fbdd-lit.blogspot.com/2015/12/the-homeopathic-limit-of-ligand.html", "published_at": "2015-12-31T12:19:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60efbb7e539", "title": "The homeopathic limit of ligand efficiency", "url": "https://fbdd-lit.blogspot.com/2015/12/the-homeopathic-limit-of-ligand.html", "published_at": "2015-12-31T12:19:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c19e236a2", "title": "The rise and fall of rational drug design", "url": "http://fbdd-lit.blogspot.com/2015/11/the-rise-and-fall-of-rational-drug.html", "published_at": "2015-11-05T01:20:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60efc13b199", "title": "The rise and fall of rational drug design", "url": "https://fbdd-lit.blogspot.com/2015/11/the-rise-and-fall-of-rational-drug.html", "published_at": "2015-11-05T01:20:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c1aba0081", "title": "Voodoo thermodynamics for dummies", "url": "http://fbdd-lit.blogspot.com/2015/10/voodoo-thermodynamics-for-dummies.html", "published_at": "2015-10-30T12:55:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60efcd02e3f", "title": "Voodoo thermodynamics for dummies", "url": "https://fbdd-lit.blogspot.com/2015/10/voodoo-thermodynamics-for-dummies.html", "published_at": "2015-10-30T12:55:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c1b1c295f", "title": "From schwefeläther to octanol", "url": "http://fbdd-lit.blogspot.com/2015/10/from-schwefelather-to-octanol.html", "published_at": "2015-10-22T23:34:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60efce2d14c", "title": "From schwefeläther to octanol", "url": "https://fbdd-lit.blogspot.com/2015/10/from-schwefelather-to-octanol.html", "published_at": "2015-10-22T23:34:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c1be3e155", "title": "Halogen bonding and the curious case of the poisoned dogs", "url": "http://fbdd-lit.blogspot.com/2015/10/halogen-bonding-and-curious-case-of.html", "published_at": "2015-10-18T23:32:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60efdb12a64", "title": "Halogen bonding and the curious case of the poisoned dogs", "url": "https://fbdd-lit.blogspot.com/2015/10/halogen-bonding-and-curious-case-of.html", "published_at": "2015-10-18T23:32:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c1c6fd3f9", "title": "A PAINful convolution of fact with opinion?", "url": "http://fbdd-lit.blogspot.com/2015/10/a-painful-convolution-of-fact-with.html", "published_at": "2015-10-11T23:44:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60efe0a7076", "title": "A PAINful convolution of fact with opinion?", "url": "https://fbdd-lit.blogspot.com/2015/10/a-painful-convolution-of-fact-with.html", "published_at": "2015-10-11T23:44:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c1cd3ee36", "title": "Ligand efficiency metrics: why all the fuss?", "url": "http://fbdd-lit.blogspot.com/2015/09/ligand-efficiency-metrics-why-all-fuss.html", "published_at": "2015-09-22T02:16:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60eff036bb1", "title": "Ligand efficiency metrics: why all the fuss?", "url": "https://fbdd-lit.blogspot.com/2015/09/ligand-efficiency-metrics-why-all-fuss.html", "published_at": "2015-09-22T02:16:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c1db53ae7", "title": "On open access", "url": "http://fbdd-lit.blogspot.com/2015/08/on-open-access.html", "published_at": "2015-08-27T01:13:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60effbde126", "title": "On open access", "url": "https://fbdd-lit.blogspot.com/2015/08/on-open-access.html", "published_at": "2015-08-27T01:13:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c1df27c89", "title": "Molecular recognition, controlled experiments and discrete chemical space", "url": "http://fbdd-lit.blogspot.com/2015/07/molecular-recognition-controlled.html", "published_at": "2015-07-12T13:26:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60f009df3f1", "title": "Molecular recognition, controlled experiments and discrete chemical space", "url": "https://fbdd-lit.blogspot.com/2015/07/molecular-recognition-controlled.html", "published_at": "2015-07-12T13:26:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c1e42044b", "title": "Into the mess that metrics make", "url": "http://fbdd-lit.blogspot.com/2015/07/into-mess-that-metrics-make.html", "published_at": "2015-07-01T13:18:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60f01943e7d", "title": "Into the mess that metrics make", "url": "https://fbdd-lit.blogspot.com/2015/07/into-mess-that-metrics-make.html", "published_at": "2015-07-01T13:18:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c1f2315b0", "title": "Expertitis", "url": "http://fbdd-lit.blogspot.com/2015/04/expertitis.html", "published_at": "2015-04-13T12:03:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60f02453474", "title": "Expertitis", "url": "https://fbdd-lit.blogspot.com/2015/04/expertitis.html", "published_at": "2015-04-13T12:03:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c2014cd28", "title": "Ligand efficiency validated", "url": "http://fbdd-lit.blogspot.com/2015/04/ligand-efficiency-validated.html", "published_at": "2015-04-01T03:48:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60f02c81455", "title": "Ligand efficiency validated", "url": "https://fbdd-lit.blogspot.com/2015/04/ligand-efficiency-validated.html", "published_at": "2015-04-01T03:48:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c20d7701c", "title": "Literature pollution for dummies", "url": "http://fbdd-lit.blogspot.com/2015/03/literature-pollution-for-dummies.html", "published_at": "2015-03-22T20:15:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60f03359c0b", "title": "Literature pollution for dummies", "url": "https://fbdd-lit.blogspot.com/2015/03/literature-pollution-for-dummies.html", "published_at": "2015-03-22T20:15:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c21905fc1", "title": "Is the literature polluted by singlet oxygen quenchers and scavengers?", "url": "http://fbdd-lit.blogspot.com/2015/03/is-literature-polluted-by-singlet.html", "published_at": "2015-03-18T10:44:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60f037c97d1", "title": "Is the literature polluted by singlet oxygen quenchers and scavengers?", "url": "https://fbdd-lit.blogspot.com/2015/03/is-literature-polluted-by-singlet.html", "published_at": "2015-03-18T10:44:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c21a192b0", "title": "Free energy perturbation in lead optimization", "url": "http://fbdd-lit.blogspot.com/2015/03/free-energy-perturbation-in-lead.html", "published_at": "2015-03-06T13:24:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60f03c86451", "title": "Free energy perturbation in lead optimization", "url": "https://fbdd-lit.blogspot.com/2015/03/free-energy-perturbation-in-lead.html", "published_at": "2015-03-06T13:24:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c21ce83e1", "title": "There's more to molecular design than making predictions", "url": "http://fbdd-lit.blogspot.com/2015/02/theres-more-to-molecular-design-than.html", "published_at": "2015-02-19T11:36:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60f040fd01a", "title": "There's more to molecular design than making predictions", "url": "https://fbdd-lit.blogspot.com/2015/02/theres-more-to-molecular-design-than.html", "published_at": "2015-02-19T11:36:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c22b7542e", "title": "Molecular complexity in KL (Jan 2014)", "url": "http://fbdd-lit.blogspot.com/2015/01/molecular-complexity-in-kl-jan-2014.html", "published_at": "2015-01-25T21:43:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60f04954743", "title": "Molecular complexity in KL (Jan 2014)", "url": "https://fbdd-lit.blogspot.com/2015/01/molecular-complexity-in-kl-jan-2014.html", "published_at": "2015-01-25T21:43:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c232df6cb", "title": "It's a rhodanine... fetch the ducking stool", "url": "http://fbdd-lit.blogspot.com/2015/01/its-rhodanine-fetch-ducking-stool.html", "published_at": "2015-01-21T00:01:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60f05601884", "title": "It's a rhodanine... fetch the ducking stool", "url": "https://fbdd-lit.blogspot.com/2015/01/its-rhodanine-fetch-ducking-stool.html", "published_at": "2015-01-21T00:01:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c241fc939", "title": "New year, new blog name...", "url": "http://fbdd-lit.blogspot.com/2015/01/new-year-new-blog-name.html", "published_at": "2015-01-11T22:00:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60f05f30e59", "title": "New year, new blog name...", "url": "https://fbdd-lit.blogspot.com/2015/01/new-year-new-blog-name.html", "published_at": "2015-01-11T22:00:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c24e08ef1", "title": "Saving Ligand Efficiency?", "url": "http://fbdd-lit.blogspot.com/2014/09/saving-ligand-efficiency.html", "published_at": "2014-09-13T15:12:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60f0613bec5", "title": "Saving Ligand Efficiency?", "url": "https://fbdd-lit.blogspot.com/2014/09/saving-ligand-efficiency.html", "published_at": "2014-09-13T15:12:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c25753537", "title": "Efficiency can also be lipophilic", "url": "http://fbdd-lit.blogspot.com/2014/09/efficiency-can-also-be-lipophilic.html", "published_at": "2014-09-04T12:59:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60f06c1bb5b", "title": "Efficiency can also be lipophilic", "url": "https://fbdd-lit.blogspot.com/2014/09/efficiency-can-also-be-lipophilic.html", "published_at": "2014-09-04T12:59:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c25c82a02", "title": "Ligand efficiency metrics considered harmful", "url": "http://fbdd-lit.blogspot.com/2014/08/ligand-efficiency-metrics-considered.html", "published_at": "2014-08-30T11:48:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60f0747e926", "title": "Ligand efficiency metrics considered harmful", "url": "https://fbdd-lit.blogspot.com/2014/08/ligand-efficiency-metrics-considered.html", "published_at": "2014-08-30T11:48:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c25d2310f", "title": "Ligand efficiency metric teaser", "url": "http://fbdd-lit.blogspot.com/2014/06/ligand-efficiency-metric-teaser.html", "published_at": "2014-06-04T18:39:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60f075718ba", "title": "Ligand efficiency metric teaser", "url": "https://fbdd-lit.blogspot.com/2014/06/ligand-efficiency-metric-teaser.html", "published_at": "2014-06-04T18:39:00+00:00" }, { "id": "01a0c532-5aba-732d-a595-e86c26499991", "title": "To review or not to review?", "url": "http://fbdd-lit.blogspot.com/2013/08/to-review-or-not-to-review.html", "published_at": "2013-08-23T01:37:00+00:00" }, { "id": "01a0c532-5df2-733a-917e-b60f0786dd34", "title": "To review or not to review?", "url": "https://fbdd-lit.blogspot.com/2013/08/to-review-or-not-to-review.html", "published_at": "2013-08-23T01:37:00+00:00" } ] posts Claim your blog
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Molecular Design

fbdd-lit.blogspot.com

2019

Response to Pat Walters on ML in drug discoveryoriginal ↗
21 Jan 2019
Response to Pat Walters on ML in drug discoveryoriginal ↗
21 Jan 2019
Thoughts on AI in Drug Discovery - A Practical View From the Trenchesoriginal ↗
17 Jan 2019
Thoughts on AI in Drug Discovery - A Practical View From the Trenchesoriginal ↗
17 Jan 2019

2018

Ligand efficiency and fragment-to-lead optimizationsoriginal ↗
30 Nov 2018
Ligand efficiency and fragment-to-lead optimizationsoriginal ↗
30 Nov 2018
A PAINful itchoriginal ↗
14 Oct 2018
A PAINful itchoriginal ↗
14 Oct 2018
More hydrogen bonding asymmetriesoriginal ↗
7 Oct 2018
More hydrogen bonding asymmetriesoriginal ↗
7 Oct 2018
Hydrogen bonding asymmetriesoriginal ↗
30 Sept 2018
Hydrogen bonding asymmetriesoriginal ↗
30 Sept 2018
On the Nature of QSARoriginal ↗
13 Sept 2018
On the Nature of QSARoriginal ↗
13 Sept 2018
Hammettoriginal ↗
6 Apr 2018
Hammettoriginal ↗
6 Apr 2018
The maximal quality of molecular interactionsoriginal ↗
31 Mar 2018
The maximal quality of molecular interactionsoriginal ↗
31 Mar 2018

2017

Eu matei o Oscar Niemeyeroriginal ↗
15 Dec 2017
Eu matei o Oscar Niemeyeroriginal ↗
15 Dec 2017
Hydrogen bonding and electronegativityoriginal ↗
9 Nov 2017
Hydrogen bonding and electronegativityoriginal ↗
9 Nov 2017
War and PAINSoriginal ↗
23 Oct 2017
War and PAINSoriginal ↗
23 Oct 2017
The resurrection of Maxwell's Demonoriginal ↗
12 Oct 2017
The resurrection of Maxwell's Demonoriginal ↗
12 Oct 2017
To logP or logD, that is the questionoriginal ↗
20 Sept 2017
To logP or logD, that is the questionoriginal ↗
20 Sept 2017
A concentration of scoring functionsoriginal ↗
1 Apr 2017
A concentration of scoring functionsoriginal ↗
1 Apr 2017
PAINS and editorial policyoriginal ↗
24 Jan 2017
PAINS and editorial policyoriginal ↗
24 Jan 2017
Confessions of a Units Nazioriginal ↗
6 Jan 2017
Confessions of a Units Nazioriginal ↗
6 Jan 2017

2016

PAINS: a question of applicability domain?original ↗
12 Jun 2016
PAINS: a question of applicability domain?original ↗
12 Jun 2016
Yet more on ligand efficiency metricsoriginal ↗
3 Jun 2016
Yet more on ligand efficiency metricsoriginal ↗
3 Jun 2016
Sailor Malan's guide to fragment screening library designoriginal ↗
22 May 2016
Sailor Malan's guide to fragment screening library designoriginal ↗
22 May 2016
A real world perspective on molecular designoriginal ↗
8 May 2016
A real world perspective on molecular designoriginal ↗
8 May 2016
LELP metric validatedoriginal ↗
1 Apr 2016
LELP metric validatedoriginal ↗
1 Apr 2016
Ligand efficiency beyond the rule of 5original ↗
10 Mar 2016
Ligand efficiency beyond the rule of 5original ↗
10 Mar 2016
On Sci-Huboriginal ↗
7 Mar 2016
On Sci-Huboriginal ↗
7 Mar 2016
The boys who cried wolforiginal ↗
29 Feb 2016
The boys who cried wolforiginal ↗
29 Feb 2016
Looking back at 2015original ↗
6 Jan 2016
Looking back at 2015original ↗
6 Jan 2016

2015

The homeopathic limit of ligand efficiencyoriginal ↗
31 Dec 2015
The homeopathic limit of ligand efficiencyoriginal ↗
31 Dec 2015
The rise and fall of rational drug designoriginal ↗
5 Nov 2015
The rise and fall of rational drug designoriginal ↗
5 Nov 2015
Voodoo thermodynamics for dummiesoriginal ↗
30 Oct 2015
Voodoo thermodynamics for dummiesoriginal ↗
30 Oct 2015
From schwefeläther to octanoloriginal ↗
22 Oct 2015
From schwefeläther to octanoloriginal ↗
22 Oct 2015
Halogen bonding and the curious case of the poisoned dogsoriginal ↗
18 Oct 2015
Halogen bonding and the curious case of the poisoned dogsoriginal ↗
18 Oct 2015
A PAINful convolution of fact with opinion?original ↗
11 Oct 2015
A PAINful convolution of fact with opinion?original ↗
11 Oct 2015
Ligand efficiency metrics: why all the fuss?original ↗
22 Sept 2015
Ligand efficiency metrics: why all the fuss?original ↗
22 Sept 2015
On open accessoriginal ↗
27 Aug 2015
On open accessoriginal ↗
27 Aug 2015
Molecular recognition, controlled experiments and discrete chemical spaceoriginal ↗
12 Jul 2015
Molecular recognition, controlled experiments and discrete chemical spaceoriginal ↗
12 Jul 2015
Into the mess that metrics makeoriginal ↗
1 Jul 2015
Into the mess that metrics makeoriginal ↗
1 Jul 2015
Expertitisoriginal ↗
13 Apr 2015
Expertitisoriginal ↗
13 Apr 2015
Ligand efficiency validatedoriginal ↗
1 Apr 2015
Ligand efficiency validatedoriginal ↗
1 Apr 2015
Literature pollution for dummiesoriginal ↗
22 Mar 2015
Literature pollution for dummiesoriginal ↗
22 Mar 2015
Is the literature polluted by singlet oxygen quenchers and scavengers?original ↗
18 Mar 2015
Is the literature polluted by singlet oxygen quenchers and scavengers?original ↗
18 Mar 2015
Free energy perturbation in lead optimizationoriginal ↗
6 Mar 2015
Free energy perturbation in lead optimizationoriginal ↗
6 Mar 2015
There's more to molecular design than making predictionsoriginal ↗
19 Feb 2015
There's more to molecular design than making predictionsoriginal ↗
19 Feb 2015
Molecular complexity in KL (Jan 2014)original ↗
25 Jan 2015
Molecular complexity in KL (Jan 2014)original ↗
25 Jan 2015
It's a rhodanine... fetch the ducking stooloriginal ↗
21 Jan 2015
It's a rhodanine... fetch the ducking stooloriginal ↗
21 Jan 2015
New year, new blog name...original ↗
11 Jan 2015
New year, new blog name...original ↗
11 Jan 2015

2014

Saving Ligand Efficiency?original ↗
13 Sept 2014
Saving Ligand Efficiency?original ↗
13 Sept 2014
Efficiency can also be lipophilicoriginal ↗
4 Sept 2014
Efficiency can also be lipophilicoriginal ↗
4 Sept 2014
Ligand efficiency metrics considered harmfuloriginal ↗
30 Aug 2014
Ligand efficiency metrics considered harmfuloriginal ↗
30 Aug 2014
Ligand efficiency metric teaseroriginal ↗
4 Jun 2014
Ligand efficiency metric teaseroriginal ↗
4 Jun 2014

2013

To review or not to review?original ↗
23 Aug 2013
To review or not to review?original ↗
23 Aug 2013
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