The Fukang Sag in the Junggar Basin is the main exploration block. However, the origin and source of crude oil are still controversial, which seriously affects the well locating and exploration in this area. In the present work, 30 source rocks and 21 crude oils were collected for geochemical analysis to clarify the source of the organic matter, the sedimentary environment, and the evolution degree. Among them, the source rocks of the Pingdiquan Formation are type II1 organic matter with good quality, the source rocks of the Badaowan Formation are type II2-III organic matter with fair–good quality, and the source rocks of the Xishanyao Formation are type II2 organic matter with fair quality. All source rocks are in the mature stage. The results of the biomarker compounds show that the lacustrine mudstone of the Xishanyao Formation and the coal-measure mudstone of the Badaowan Formation were deposited in reducing environments. The former was mainly from lower aquatic organisms, and the latter was from terrestrial higher plants. The mudstone of the Pingdiquan Formation was formed in a weakly oxidizing–weakly reducing depositional environment, and its parent material was of mixed origin. Based on the results of the biomarker compounds and carbon isotopes, the crude oils were divided into three categories. The Family I crude oil has the characteristics of low maturity, low salinity, and more input of low-level aquatic organisms, and the carbon isotope has a good affinity with the lacustrine mudstone of the Xishanyao Formation. The Family II crude oil shows medium maturity, low salinity, mainly higher plant input, and heavy carbon isotope, mainly derived from the Badaowan Formation coal-measure mudstone. The Family III crude oil is characterized by high maturity, high salinity, mixed parent materials, and light carbon isotope and originates from the mudstone of the Pingdiquan Formation. The results provide a reference for oil and gas exploration and development in the eastern area of the Junggar Basin; the future research will focus on well areas with high maturity near the Fukang fault zone.

Significant attention has been given to the extensive development of saline environments in petroliferous basins. Further exploration and studies have discovered that saline environments, such as those for the deposition of source rocks in the Paleogene Anjihaihe (E2-3a) Formation of the Sikeshu Sag, are ubiquitous in terrestrial lake basins. Previous studies have suggested that the oil reservoirs in the Sikeshu Sag and its peripheral regions are predominantly derived from the black mudstone and coal measures of the Lower Jurassic Badaowan (J1b) Formation. However, with deeper exploration of the study area, a growing number of reservoirs with geochemical characteristics different from the J1b oil source have been discovered, indicating that there are oil sources other than the J1b source rocks. In this study, various machine learning algorithms were used (random forest, RF; convolutional neural networks, CNN; extreme gradient boosting, XGBoost; ElasticNetCV; Bayesian Ridge; and particle swarm optimization-support vector regression) to select the most suitable algorithm for predicting and comparing the quality of potential source rocks. A violin plot and Taylor diagram were applied to visually compare the reliability and application effectiveness of the models. The results demonstrated that XGBoost and RF can become essential tools for predicting the quality of potential source rocks. Moreover, the measured and predicted values of total organic carbon (TOC), hydrocarbon potential (S1 + S2), and hydrogen index indicate that there are three main source rocks: the E2-3a, Lower Jurassic Sangonghe (J1s), and J1b formations. The thermal maturity of the E2-3a source rocks is still early mature because of the saline-brackish water nature of these rocks, although large-scale hydrocarbon generation and expulsion can be achieved in the early mature stage. Based on their geochemical characteristics and stepwise discriminant analysis, the oils in the Sikeshu Sag and its peripheral regions can be categorized into two types: groups A and B. Comprehensive organic geochemical evidence suggests that genetically, group A oils are originated from E2-3a less-mature saline lacustrine sedimentary rocks, while group B oils indicate similar affinity to the Jurassic source. Fluid inclusion microthermometry and one-dimensional basin modeling showed that the oil charging periods of group A and B oils were Middle-Late Miocene (13-8 Ma) and Late Oligocene (23-20 Ma), respectively. Quantitative grain fluorescence (QGF) analysis further propose that the hydrocarbon supply region of the E2-3a sources is mainly located east of the Western Chepaizi Uplift and the interior area of the Sikeshu Sag, which breaks through the previous understanding that the Jurassic coal-derived oil source is the only main contributor in this study area. The research results can be widely applied to assess the petroleum resources of source rocks in similar areas worldwide.

Different opinions on the oil-source correlation and migration of the Moxizhuang-Yongjin block in the Junggar Basin, NW China, have seriously affected oil and gas exploration in this area. This research is based on the results of biomarker analysis and carbon isotope of monomer hydrocarbon on crude oil and source rock samples from different blocks. Two oil families (A1, A2, and B) are classified by cluster analysis on nine typical biomarker ratios. Typically, sub-family A1 oils are distributed in the Zhuang 102 well block of the Moxizhuang block, and their gammacerane index is the highest. The abundance of C24 tetracyclic terpanes is the lowest, the C27 regular steranes are dominant, and the organic matter is mainly input by lower aquatic organisms. Subfamily A2 oils are distributed in the Zheng 1-1 well block of the Moxizhuang block. The gammacerane index of oils is lower than the former, and the abundance of C24 tetracyclic terpanes is higher. In the dual input of lower aquatic organisms and terrestrial higher plants, the input of terrestrial higher plants accounted for a larger proportion. Family B oils are distributed in the Yong 2 well block of the Yongjin block, and their gammacerane index is the lowest. They have a high abundance of C24 tetracyclic terpanes, and C29 regular steranes are dominant, reflecting the characteristics of terrigenous organic matter contribution. Based on the biomarker compound composition, at least two oil charges are indicated: Sub-family A1 oils are likely sourced from the Wuerhe formation, subfamily A2 oils may be a mixture of Wuerhe formation and Badaowan formation, and family B oils are likely sourced from the Badaowan formation. The oil families with typical genetic affinities may indicate two major petroleum systems or multiple oil systems existing in the study area. In addition, the characteristics of hydrocarbon accumulation and migration are also discussed, the oil and gas in the West Sag of Well Pen 1 and Changji Sag are filled from deep to shallow in the vertical direction and migrated from south to north in the horizontal direction, at the same time, with the help of sand bodies and faults, and they migrated to the north and northeast. This work provides a scientific basis for oil and gas exploration in the hinterland of the Junggar Basin.