3 Modelling Simple Toxicity Endpoints …
55
51. Gadaleta D et al (2018) QSAR modeling of ToxCast assays relevant to the molecular initiating
events of AOPs leading to hepatic steatosis. J Chem Inf Model 58:1501–1517
52. Kotsampasakou E, Ecker GF (2017) Predicting drug-induced cholestasis with the help of hepatic transporters-an in silico modeling approach. J Chem Inf Model 57:608–615
53. Altamira LLC, Molecular Networks GmbH (2013) ChemoTyper. https://chemotyper.org/.
Accessed 28 Aug 2018
54. Liu J et al (2015) Predicting hepatotoxicity using ToxCast in vitro bioactivity and chemical
structure. Chem Res Toxicol 28:738–751
55. Liu J et al (2017) Predicting organ toxicity using in vitro bioactivity data and chemical structure.
Chem Res Toxicol 30:2046–2059
56. Carbonell P et al (2017) Hepatotoxicity prediction by systems biology modeling of disturbed
metabolic pathways using gene expression data. Altex 34:219–234
57. Kim J, Shin M (2014) An integrative model of multi-organ drug-induced toxicity prediction
using gene-expression data. BMC Bioinform. https://doi.org/10.1186/1471-2105-15-s16-s2
58. Alyass A et al (2015) From big data analysis to personalized medicine for all: challenges and
opportunities. BMC Med Genomics. https://doi.org/10.1186/s12920-015-0108-y
Richard Williams is Chief Scientific Officer at Lhasa Limited. He is an organic chemist by training, having graduated with a Ph.D. in organic chemistry from Swansea University in 2000, and
is a chemical toxicologist through practice. He joined Lhasa Limited in 2004, and his early work
focused on the prediction of genotoxicity (mutagenicity, chromosome damage) through the derivation of structural alerts, in collaboration with world leading genetic toxicologists (Drs. Hayashi
and Honma). Subsequent work led to a broadening of his endpoint knowledge (e.g. carcinogenicity, skin sensitisation, phototoxicity), and he has also led development work around negative predictions and ICH M7 workflows. Despite no longer being directly involved in alert writing, he
retains his interest in genetic toxicology by serving as Secretary of the UK’s Industrial Genotoxicology Group (IGG) and has also been part of the International Workgroups on Genotoxicity Testing (IWGT).
55
51. Gadaleta D et al (2018) QSAR modeling of ToxCast assays relevant to the molecular initiating
events of AOPs leading to hepatic steatosis. J Chem Inf Model 58:1501–1517
52. Kotsampasakou E, Ecker GF (2017) Predicting drug-induced cholestasis with the help of hepatic transporters-an in silico modeling approach. J Chem Inf Model 57:608–615
53. Altamira LLC, Molecular Networks GmbH (2013) ChemoTyper. https://chemotyper.org/.
Accessed 28 Aug 2018
54. Liu J et al (2015) Predicting hepatotoxicity using ToxCast in vitro bioactivity and chemical
structure. Chem Res Toxicol 28:738–751
55. Liu J et al (2017) Predicting organ toxicity using in vitro bioactivity data and chemical structure.
Chem Res Toxicol 30:2046–2059
56. Carbonell P et al (2017) Hepatotoxicity prediction by systems biology modeling of disturbed
metabolic pathways using gene expression data. Altex 34:219–234
57. Kim J, Shin M (2014) An integrative model of multi-organ drug-induced toxicity prediction
using gene-expression data. BMC Bioinform. https://doi.org/10.1186/1471-2105-15-s16-s2
58. Alyass A et al (2015) From big data analysis to personalized medicine for all: challenges and
opportunities. BMC Med Genomics. https://doi.org/10.1186/s12920-015-0108-y
Richard Williams is Chief Scientific Officer at Lhasa Limited. He is an organic chemist by training, having graduated with a Ph.D. in organic chemistry from Swansea University in 2000, and
is a chemical toxicologist through practice. He joined Lhasa Limited in 2004, and his early work
focused on the prediction of genotoxicity (mutagenicity, chromosome damage) through the derivation of structural alerts, in collaboration with world leading genetic toxicologists (Drs. Hayashi
and Honma). Subsequent work led to a broadening of his endpoint knowledge (e.g. carcinogenicity, skin sensitisation, phototoxicity), and he has also led development work around negative predictions and ICH M7 workflows. Despite no longer being directly involved in alert writing, he
retains his interest in genetic toxicology by serving as Secretary of the UK’s Industrial Genotoxicology Group (IGG) and has also been part of the International Workgroups on Genotoxicity Testing (IWGT).