Over the years, semiconducting organic polymers have evolved as the active-layer materials in a range of technological applications like field-effect transistors (OFET), light-emitting diodes and organic photovoltaic devices. Despite of these large number of current as well as proposed technological applications like in photocatalytic, thermoelectric, 7,8 bioelectronic and neuromorphic devices, quantitative models that link the chemical structures of the conjugated polymers with their charge-carrier mobilities are not yet available. The charge-carrier's motion in polymeric semiconductors is a complex process due to the anisotropy of charge transport along the chain (intra-chain transport) from that between neighboring chains (inter-chain transport). The traditional consensus is that the charge-carrier transport is primarily mediated through transport within spatially close semi-crystalline domains which are interconnected by long 'tie chains'. However, recent demonstrations of high charge-carrier mobility in disordered, donor-acceptor copolymers, comparable to that within highly ordered polymers like PBTTT, have highlighted that shortrange intermolecular order is sufficient for efficient long-range charge transport. The relatively rigid backbones of these donor-acceptor copolymers result in lower energetic disorders and in consequence, extended persistence lengths; consequently, a small number of inter-chain contacts can successfully result in 3-D percolation network. Within these relatively rigid structures, the intra-chain transport becomes the major contributor to charge mobility. Intra-chain charge-carrier transport in organic polymers is commonly attributed to a sequence of charge hopping events between localized states which stems from the static disorder in electronic coupling, i.e., these localized states are quite similar in nature to the eigenstates observed in Anderson localization due to off-diagonal disorder. In the organic polymer community, it is generally agreed that the static disorder in the electronic coupling, not the polaronic effects, localizes the charge-carriers over different chain segments due to higher magnitude of the inter-monomer electronic coupling as compared to the monomer's reorganization energy. The soft nature of the polymer backbone results in twisting and/or bending of the polymer chains in the bulk phase, which introduces disorder in the electronic coupling between neighboring, relatively rigid, monomer units (Fig. ). Molecular dynamics (MD) simulations of amorphous polymers reveal that the conformation of the polymer chain does not change with time in the timescale of carrier transport (~10 ns) and the localized orbitals retains their shape and localization for hundreds of nanoseconds; consequently, within the timescale of charge-carrier dynamics, the bulk polymer can be assumed to be in a glassy phase. Such large, yet slow conformational deformations, which cause overall change in the polymer shape usually lead to the static disorder in electronic couplings. Furthermore, in this glassy phase, the dihedral angle between neighboring monomers cannot evolve freely but rapidly fluctuates around an equilibrium position imposed by the interactions with the neighboring chains. These thermal oscillations of the dihedral angles introduce additional dynamic disorder in the electronic couplings which in turn couples the abovementioned localized states. Therefore, at the zeroth-level of transport description, each polymer chain can be defined as a sequence of monomer units along with the sequence of quasi-frozen dihedral angles between adjacent monomer units which dictates the band structure of the localized states. Although a large number of theoretical studies have been conducted on the charge-carrier dynamics in polymeric semiconductors, they are somewhat divided either between accurate descriptions of benchmark systems (e.g., P3HT, PBTTT, IDTBT) or model studies with empirical parameter values entering into the kinetic master equations. While the first group of studies are accurate enough for a selected set of polymers, they cannot be generalized for a larger set for rapid in silico screening. On the other hand, the second category of studies fails to explicitly correlate key transport characteristics like charge mobility with chemical structures of the polymers. In recent years, a number of strategies have been employed to improve the description of the polymer density of states (DOS) from empirical Gaussian or exponential functions by quantum-chemically constructing them from a model Hamiltonian, yet the parameters employed, although similar to the typical values observed in polymeric semiconductors, are empirical and do not relate to specific polymer systems. In addition, high throughput screenings of large database of known molecular semiconductors have revealed that the best known materials are not always ideal with respect to key properties, and a modular approach to construct these materials can enhance the charge mobility by tenfold. However, modular construction of polymer chains followed by first-principles quantum chemical studies are limited to the calculation of energy levels or properties that can serve as proxies of the charge mobility like orbital localization of DOS slope and the valence band edge. Therefore, what is missing in the literature is a generalized strategy to establish a rapid connection between chemical structures and transport properties of polymers which can be extracted from simple electronic structure calculations.