Within the conceptual body of “One Well being”, the protection crises attributable to varied toxicological points resulting from chemical exposures is of nice concern. The pressing demand of environmentally protected chemical compounds is forcing an consciousness of the significance of designing non-toxic chemical compounds molecules. The booming toxicological information may present referential basis for learning interactions between residing organisms and atmosphere. Nonetheless, a considerable amount of toxicological information is fragmented and scattered amongst varied literatures or on-line assets. To advertise extra environment friendly use of toxicological data, the additional assortment and collation of the present toxicity information is worthy of being advancing. The current assessment offers with the applying of current toxicological information to assist environmental danger evaluation and to information inexperienced chemical design. The significance of chemical toxicity information for human well being and ecological danger evaluation, tendencies of accessible chemical toxicity information, particulars of the frequent structural options related to totally different toxicity endpoints, and purposes of toxicological massive information in toxicity prediction mixed with synthetic intelligence are described and mentioned. Moreover, based mostly on the systematical assortment and evaluation about present toxicity information, a reorganized toxicological databank is supplied to cowl a wider vary of natural chemical compounds and examined species. It’s anticipated that this work may contribute to the examine of natural structural toxicity, chemical toxicity prediction, environmental danger evaluation, and safer chemical design.