Mohammad Hossein Delshad, Fatemeh Pourhaji, Mahbubeh Abdollahi, Hajar Pardeh Khorram, Atefeh Pourhasan
Colorectal cancer literacy and related factors in northeast of Iran: A cross-sectional study
Cancer reports (Hoboken, N.J.)
proofofconcept version software tool making transparent predictions acute aquatic toxicity developed primarily limited semiquantitative predictions one species ciliated protozoan tetrahymena pyriformis freely available system ecoderek derived adapting wellestablished knowledgebased structureactivity reasoning platform derek windows lhasa limited derek reasoning code modified express potency rather confidence structureactivity relationship sar development utilised curated version published dataset supplemented cadaster challenge datasets fortyfive structural alerts produced dependence log p examined alert entered system qualitative reasoning rules specifying predicted potency low low moderate high high evaluation studies showed moderate accuracy training set low accuracy external test set b nonlinearity toxicitylog p relationship chemicals without identified structural alerts c insufficient differentiation substituent effects reactivitybased structural alerts resulting chemicals predicted high toxicity need additional structural alerts covering polar narcosis less common reactive metabolically activated chemical functionality